SCHEMBL8055730

SCHEMBL8055730

CCCCCN[C@@H](CO)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 10/20 0.41
DPP7 Q9UHL4 2/20 0.41
NOD1 Q9Y239 1/20 0.40
NAAA Q02083 1/20 0.39
TLR2 O60603 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RRM1 P23921 1/20 0.38
CASP2 P42575 1/20 0.37
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9802585 1.00 EPHX1 (0.41) EPHX1DPP7NOD1NAAATLR2
SCHEMBL248427 0.98 EPHX1 (0.44) EPHX1DPP7NOD1NAAATLR2
SCHEMBL248429 0.98 EPHX1 (0.44) EPHX1DPP7NOD1NAAATLR2
Oxalic Acid SCHEMBL9307684 0.95 ALOX15 (0.44) EPHX1DPP7NOD1NAAATLR2
Phosphoric Acid SCHEMBL8213494 0.92 ANPEP (0.44) EPHX1NOD1NAAATLR2KDM4E
SCHEMBL14367745 0.86 CA1 (0.44) EPHX1DPP7NOD1CA1CA2
SCHEMBL7342396 0.86 CA1 (0.44) EPHX1DPP7NOD1CA1CA2
SCHEMBL21206958 0.86 TGFBR1 (0.36) TLR2CA1CA2KDM4E
SCHEMBL7355950 0.83 NOD1 (0.40) EPHX1DPP7NOD1CA1CA2
SCHEMBL26225624 0.83 NOD1 (0.46) EPHX1DPP7NOD1CA1CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6114534-A REACTING A KETONE DERIVATIVE OF CARBAMOYL SUBSTITUTED HETEROCYCLE WITH PHOSPHORANE, FOLLOWED BY ACIDIFICATION TO FORM AN ANTICOAGULANT ELI LILLY AND COMPANY (US) 2000-09-05 US disclosed
US-6075147-A OMEGA-PHENYL-OMEGA-(3-PYRIDYL)-OMEGA-ALKENOIC ACID DERIVATIVES BEARING A CARBAMOYL SUBSTITUTED OXAZOLYL OR OXAZOLINYL GROUP ON THE PHENYL RING IS USEFUL FOR THROMBOXANE RECEPTOR ANTAGONSIM OR THROMBOXANE SYNTHASE INHIBITOR ELI LILLY AND COMPANY (US) 2000-06-13 US disclosed
US-6031095-A Intermediates in the preparation of substituted alkenoic acids ELI LILLY AND COMPANY (US) 2000-02-29 US disclosed
US-5990308-A Intermediates in the preparation of substituted alkenoic acids ELI LILLY AND COMPANY (US) 1999-11-23 US disclosed
US-5849766-A Carbamoyl substituted heterocycles ELI LILLY AND COMPANY (US) 1998-12-15 US disclosed
US-5849922-A Preparation of substituted alkenoic acids ELI LILLY AND COMPANY (US) 1998-12-15 US disclosed
EP-0816361-A2 Preparation of substituted alkenoic acids ELI LILLY AND COMPANY (US) 1998-01-07 EP disclosed
EP-0811621-A2 Carbamoyl substituted oxazoles as thromboxane receptor antagonists ELI LILLY AND COMPANY (US) 1997-12-10 EP disclosed
US-5618946-A 7-oxabicycloheptane carboxylic acid prostaglandin analog intermediates useful in the preparation of anti-thrombotic and anti-vasospastic compounds and method for preparing same BRISTOL-MYERS SQUIBB COMPANY (US) 1997-04-08 US disclosed
US-5539126-A PROSTAGLANDIN ANALOGS, THROMBOXANE A2 RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 1996-07-23 US disclosed
EP-0678507-A1 Method for preparing homochiral maleimide intermediates, via silylation techniques, used in the enantioselective preparation of anti-thrombotic and anti-vasospastic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1995-10-25 EP disclosed
US-5436347-A Benzaldehyde intermediates useful in the preparation of 7-oxabicycloheptane carboxylic acid prostaglandin analog anti-thrombotic and anti-vasospastic compounds and method for preparing same BRISTOL-MYERS SQUIBB COMPANY (US) 1995-07-25 US disclosed
US-5399725-A Forming alcohol-amides by reacting a 7-oxabicycloheptane imide with a 2-/2-metallated phenyl/-1,3-dioxolane /metal is lithium or magnesium bromide/ and reducing the product BRISTOL-MYERS SQUIBB CO. (US) 1995-03-21 US disclosed
EP-0626384-A1 7-Oxabicycloheptane carboxylic acid prostaglandin analog intermediates useful in the preparation of antithrombotic and anti-vasospastic compounds and method for preparing same BRISTOL-MYERS SQUIBB COMPANY (US) 1994-11-30 EP disclosed
US-5347007-A Mesylated hydroxymethyl compound treated with alkali metal chloride or quaternary ammonium chloride to form chloromethylamide compound E. R. SQUIBB & SONS, INC. (US) 1994-09-13 US disclosed
US-5332840-A Acylation an anhydride and reaction with oxazolidine to form benzaldehyde BRISTOL-MYERS SQUIBB COMPANY (US) 1994-07-26 US disclosed
US-5281716-A Enzyme inhibitors for anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 1994-01-25 US disclosed
EP-0575069-A1 Method for preparing 7-oxabicycloheptyl substituted oxazole amide prostaglandin analog intermediates useful in the preparation of antithrombotic and anti-vasospastic compounds E.R. Squibb & Sons, Inc. (US) 1993-12-22 EP disclosed
US-5260448-A Treating a vinyl bromide containing compound with a metal carbonate cyclizing agent E. R. SQUIBB & SONS, INC. (US) 1993-11-09 US disclosed
US-5260449-A Method for preparing 7-oxabicycloheptyl substituted bromooxazole amide prostaglandin analog intermediates useful in the preparation of anti-thrombotic and anti-vasospastic compounds E. R. SQUIBB & SONS, INC. (US) 1993-11-09 US disclosed