SCHEMBL9322253

SCHEMBL9322253

Cc1ccccc1CC(CS)NC(=O)OCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 3/20 0.53
MME P08473 2/20 0.44
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
CASP1 P29466 2/20 0.38
ECE1 P42892 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NLRP3 Q96P20 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
SCHEMBL9727406 0.79 LMNA (0.45) CTRB1MMEPPARGPPARAECE1
SCHEMBL9727410 0.79 LMNA (0.45) CTRB1MMEPPARGPPARAECE1
SCHEMBL9458948 0.75 CTRB1 (0.58) CTRB1MMEPPARGECE1KDM4E
SCHEMBL9459389 0.75 HTT (0.57) CTRB1MMEECE1
SCHEMBL9486724 0.72 CTRB1 (0.54) CTRB1MMEECE1
SCHEMBL7357606 0.72 CTRB1 (0.54) CTRB1MMEECE1
SCHEMBL9459228 0.72 CTRB1 (0.53) CTRB1ECE1
SCHEMBL9727172 0.72 NLRP3 (0.48) PPARANLRP3
SCHEMBL9458824 0.71 CTRB1 (0.49) CTRB1MMEPPARGECE1
SCHEMBL3130960 0.70 KDM4E (0.43) PPARGPPARAKDM4E

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
EP-0543892-B1 N-(MERCAPTOALKYL)UREAS AND CARBAMATES SCHERING CORP (US) 1994-11-23 EP disclosed
US-5356925-A For cardiovascular and urogenital disorders SCHERING CORPORATION (US) 1994-10-18 US disclosed
US-5173506-A For treating hypertension, congestive heart failure, edema or urogenital disorders in mammals SCHERING CORPORATION (US) 1992-12-22 US disclosed
WO-1992003410-A1 N-(MERCAPTOALKYL)UREAS AND CARBAMATES SCHERING CORPORATION (US) 1992-03-05 WO disclosed