SCHEMBL6966643

SCHEMBL6966643

Cc1ccccc1COc1ccc2cc(CC3SC(=O)NC3=O)cnc2c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.52
PPARG P37231 9/20 0.48
PPARA Q07869 6/20 0.47
CYP3A4 P08684 1/20 0.43
RXRA P19793 1/20 0.43
MPC2 O95563 1/20 0.43
CYP2C8 P10632 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL6967270 0.89 CA2 (0.48) FFAR1PPARGPPARAMPC2CYP2C8
SCHEMBL6958537 0.89 PPARG (0.48) FFAR1PPARGPPARA
SCHEMBL6959041 0.89 FFAR1 (0.47) FFAR1PPARGPPARA
SCHEMBL6957024 0.88 PPARG (0.49) FFAR1PPARGPPARA
SCHEMBL377641 0.87 FFAR1 (0.59) FFAR1PPARGPPARACYP3A4
SCHEMBL29602962 0.87 FFAR1 (0.59) FFAR1PPARGPPARACYP3A4
SCHEMBL6958784 0.86 FFAR1 (0.58) FFAR1PPARGPPARACYP3A4RXRA
SCHEMBL6955421 0.86 FFAR1 (0.47) FFAR1PPARGPPARA
SCHEMBL6964011 0.85 FFAR1 (0.45) FFAR1PPARGPPARACYP3A4RXRA
SCHEMBL6960528 0.84 FFAR1 (0.49) FFAR1PPARGPPARACYP3A4RXRA

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
EP-0787725-B1 QUINOLINE DERIVATIVE NIPPON CHEMIPHAR CO (JP) 2003-04-23 EP disclosed
EP-0787725-A1 QUINOLINE DERIVATIVE NIPPON CHEMIPHAR CO., LTD. (JP) 1997-08-06 EP disclosed