SCHEMBL8918962

SCHEMBL8918962

CCCCCCCNC(=O)c1coc([C@H]2[C@@H](Cc3ccccc3CCC(=O)O)[C@@H]3CC[C@H]2O3)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 19/20 1.00

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
SCHEMBL9718291 1.00 TBXA2R (1.00) TBXA2R
SCHEMBL8918573 1.00 TBXA2R (1.00) TBXA2R
Bms-180291 SCHEMBL9589119 0.99 TBXA2R (1.00) TBXA2R
Ifetroban SCHEMBL30218601 0.99 TBXA2R (1.00) TBXA2R
Bms-180291 SCHEMBL29502980 0.99 TBXA2R (1.00) TBXA2R
Bms-180291 SCHEMBL28137 0.99 TBXA2R (1.00) TBXA2R
Bms-180291 SCHEMBL28136 0.99 TBXA2R (1.00) TBXA2R
Ifetroban SCHEMBL28135 0.99 TBXA2R (1.00) TBXA2R
Ifetroban SCHEMBL16212975 0.98 TBXA2R (0.98) TBXA2R
Bms-180291 SCHEMBL16212977 0.98 TBXA2R (0.98) TBXA2R

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5100889-A Thromboxane A2 receptor antagonists, thromboxane synthetase inhibitor E. R. SQUIBB & SONS, INC. (US) 1992-03-31 US claimed
US-5605917-A ADMINISTERING A THROMBOXANE A2 RECEPTOR ANTAGONIST BRISTOL-MYERS SQUIBB COMPANY (US) 1997-02-25 US disclosed
US-5153327-A 7-Oxabicycloheptyl substituted heterocyclic amide or ester prostaglandin analogs useful in the treatment of thrombotic and vasospastic disease E. R. SQUIBB & SONS, INC. (US) 1992-10-06 US disclosed
US-5100889-A Thromboxane A2 receptor antagonists, thromboxane synthetase inhibitor E. R. SQUIBB & SONS, INC. (US) 1992-03-31 US disclosed