SCHEMBL7737368

SCHEMBL7737368

O=C(O)COc1cccc2c1CCCC(=O)N2CCSC(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 17/20 0.46
TBXA2R P21731 4/20 0.46
PPARD Q03181 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
PPARG P37231 1/20 0.37

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
SCHEMBL7739681 0.95 PTGIR (0.46) PTGIRTBXA2R
SCHEMBL7736514 0.85 PTGIR (0.46) PTGIRTBXA2R
SCHEMBL7736464 0.84 PTGIR (0.46) PTGIRTBXA2RPPARD
SCHEMBL7737250 0.83 PTGIR (0.46) PTGIRTBXA2R
SCHEMBL7958526 0.82 PTGIR (0.48) PTGIRTBXA2R
SCHEMBL7737206 0.81 PTGIR (0.48) PTGIRTBXA2RPPARG
SCHEMBL7736555 0.81 PTGIR (0.47) PTGIRTBXA2R
SCHEMBL7737236 0.80 TBXA2R (0.48) PTGIRTBXA2RPPARDL3MBTL1PPARG
SCHEMBL7737376 0.75 TBXA2R (0.48) PTGIRTBXA2RPPARDL3MBTL1
SCHEMBL7737456 0.73 PTGIR (0.51) PTGIRTBXA2R

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-6407096-B1 1,4-BENZOTHIAZINE AND 1,4-BENZOXAZINE DERIVATIVES; HYPOTENSIVE, ANTIISCHEMIC, ANTIALLERGEN, ANTIASTHMATIC AND ANTICOAGULANT AGENTS; CARDIOVASCULAR DISORDERS TORAY INDUSTRIES, INC. (JP) 2002-06-18 US disclosed
EP-1028113-A1 FUSED BENZENE HETEROCYCLE DERIVATIVES AND UTILIZATION THEREOF TORAY INDUSTRIES, INC. (JP) 2000-08-16 EP disclosed