SCHEMBL9311375

SCHEMBL9311375

Cc1ccc(S(=O)(=O)Nc2ccc(/C(=C/CCCC(=O)O)c3cccnc3)cc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 19/20 0.83
TBXA2R P21731 13/20 0.83
ALDH1A1 P00352 1/20 0.59

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
SCHEMBL9311379 1.00 TBXAS1 (0.83) TBXAS1TBXA2RALDH1A1
SCHEMBL9310623 0.92 TBXAS1 (0.85) TBXAS1TBXA2R
SCHEMBL9310618 0.92 TBXAS1 (0.85) TBXAS1TBXA2R
SCHEMBL9310156 0.91 TBXAS1 (0.69) TBXAS1TBXA2RALDH1A1
SCHEMBL9310159 0.91 TBXAS1 (0.69) TBXAS1TBXA2RALDH1A1
SCHEMBL9311253 0.91 TBXAS1 (1.00) TBXAS1TBXA2R
SCHEMBL9311428 0.91 TBXAS1 (0.83) TBXAS1TBXA2R
SCHEMBL9311259 0.91 TBXAS1 (1.00) TBXAS1TBXA2R
SCHEMBL9311417 0.91 TBXAS1 (0.83) TBXAS1TBXA2R
SCHEMBL9310494 0.90 TBXAS1 (0.79) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5286736-A Thromboxane antagonists and thromboxane synthetase inhibitors DR. KARL THOMAE GMBH (DE) 1994-02-15 US disclosed
EP-0487095-A1 Pyridyl derivatives, medicines containing these compounds and processes for their preparation Dr. Karl Thomae GmbH (DE) 1992-05-27 EP disclosed