SCHEMBL9700050

SCHEMBL9700050

CSc1ccc(Cn2c(CC(C)(C)CC(=O)O)nc3ccc(Cl)nc32)cc1

nearest known ligand 0.71

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 20/20 0.71

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
SCHEMBL9700200 0.88 TBXA2R (0.56) TBXA2R
SCHEMBL9681387 0.84 TBXA2R (0.71) TBXA2R
SCHEMBL9681938 0.81 TBXA2R (1.00) TBXA2R
SCHEMBL9681818 0.78 TBXA2R (1.00) TBXA2R
SCHEMBL9701529 0.75 TBXA2R (1.00) TBXA2R
Mipitroban SCHEMBL1229504 0.73 TBXA2R (1.00) TBXA2R
SCHEMBL9681816 0.72 TBXA2R (0.71) TBXA2R
SCHEMBL9683144 0.72 TBXA2R (0.82) TBXA2R
SCHEMBL9681545 0.72 TBXA2R (0.55) TBXA2R
SCHEMBL9683255 0.71 TBXA2R (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5124336-A Cardiovascular disorders LABORATOIRES UPSA (FR) 1992-06-23 US disclosed