SCHEMBL9727410

SCHEMBL9727410

Cc1ccccc1CC(CS)NC(=O)OC(C(=O)O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
CTRB1 P17538 3/20 0.44
PPARA Q07869 4/20 0.39
PPARG P37231 2/20 0.39
MME P08473 3/20 0.39
ECE1 P42892 1/20 0.39

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 1.00 LMNA (0.45) LMNACTRB1PPARAPPARGMME
SCHEMBL9322253 0.79 CTRB1 (0.53) CTRB1PPARAPPARGMMEECE1
SCHEMBL9727233 0.78 LMNA (0.43) LMNAPPARAPPARGMME
SCHEMBL9727232 0.78 LMNA (0.43) LMNAPPARAPPARGMME
SCHEMBL9459389 0.73 HTT (0.57) CTRB1MMEECE1
SCHEMBL9458948 0.73 CTRB1 (0.58) LMNACTRB1PPARGMMEECE1
SCHEMBL10954718 0.72 HTT (0.49) PPARA
SCHEMBL9486724 0.70 CTRB1 (0.54) CTRB1MMEECE1
SCHEMBL7357606 0.70 CTRB1 (0.54) CTRB1MMEECE1
SCHEMBL9459228 0.69 CTRB1 (0.53) CTRB1ECE1

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-5173506-A For treating hypertension, congestive heart failure, edema or urogenital disorders in mammals SCHERING CORPORATION (US) 1992-12-22 US disclosed