SCHEMBL8043205

SCHEMBL8043205

CC(C)(C)[Si](C)(C)OCc1ccc(C(=CCCCCC(=O)O)c2cccnc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 20/20 0.66
TBXA2R P21731 1/20 0.66

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
SCHEMBL8043203 1.00 TBXAS1 (0.66) TBXAS1TBXA2R
SCHEMBL8060910 1.00 TBXAS1 (0.66) TBXAS1TBXA2R
(E)-Isbogrel SCHEMBL4060 0.81 TBXAS1 (1.00) TBXAS1TBXA2R
(E)-Isbogrel SCHEMBL4061 0.81 TBXAS1 (1.00) TBXAS1TBXA2R
Isbogrel SCHEMBL7766547 0.81 TBXAS1 (1.00) TBXAS1TBXA2R
SCHEMBL8056018 0.80 TBXAS1 (0.88) TBXAS1TBXA2R
SCHEMBL8056022 0.80 TBXAS1 (0.88) TBXAS1TBXA2R
SCHEMBL10634966 0.80 TBXAS1 (1.00) TBXAS1TBXA2R
SCHEMBL10634973 0.80 TBXAS1 (1.00) TBXAS1TBXA2R
(E)-Isbogrel SCHEMBL10632111 0.80 TBXAS1 (0.97) TBXAS1TBXA2R

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 6 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
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