SCHEMBL8043089

SCHEMBL8043089

N[C@@H](CO)C(=O)NCCCCOC1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.40
NAAA Q02083 1/20 0.39
DPP7 Q9UHL4 2/20 0.38
TSHR P16473 1/20 0.38
TERT O14746 1/20 0.37
RAD52 P43351 1/20 0.36
RRM1 P23921 1/20 0.35
EPHX1 P07099 1/20 0.35
SPHK1 Q9NYA1 2/20 0.35
REN P00797 1/20 0.35
S1PR2 O95136 2/20 0.35
S1PR1 P21453 2/20 0.35
S1PR3 Q99500 2/20 0.35
S1PR5 Q9H228 1/20 0.35

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
SCHEMBL8055984 0.96 NAAA (0.40) METAP2NAAADPP7TSHRTERT
SCHEMBL8055779 0.90 NAAA (0.36) METAP2NAAADPP7TSHREPHX1
SCHEMBL8056055 0.78 METAP2 (0.48) METAP2DPP7EPHX1REN
SCHEMBL249891 0.78 METAP2 (0.48) METAP2DPP7EPHX1REN
SCHEMBL9425211 0.78 METAP2 (0.48) METAP2DPP7EPHX1REN
SCHEMBL28417481 0.77 NAAA (0.42) NAAATSHRTERTEPHX1SPHK1
SCHEMBL8043092 0.75 NAAA (0.36) NAAATERTEPHX1SPHK1
SCHEMBL21842362 0.75 KDM4E (0.52) NAAAEPHX1
SCHEMBL23975364 0.74 NAAA (0.62) NAAATSHRTERTEPHX1
SCHEMBL23975138 0.74 NAAA (0.62) NAAATSHRTERTEPHX1

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 8 patents. 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