SCHEMBL6964545

SCHEMBL6964545

O=C1NC(=O)C(Cc2cnc3cc(OCCc4ccccc4C(F)(F)F)ccc3c2)S1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.46
CYP3A4 P08684 1/20 0.45
RXRA P19793 1/20 0.45
FFAR1 O14842 10/20 0.43
PPARA Q07869 2/20 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
SCHEMBL6955421 0.92 FFAR1 (0.47) PPARGFFAR1PPARA
SCHEMBL6961699 0.88 PPARG (0.41) PPARGCYP3A4RXRAFFAR1PPARA
SCHEMBL6963053 0.83 MAOB (0.43) PPARGFFAR1PPARA
SCHEMBL6961651 0.82 PPARG (0.40) PPARGFFAR1
SCHEMBL6956444 0.81 PPARG (0.57) PPARGCYP3A4RXRAFFAR1PPARA
SCHEMBL29602962 0.80 FFAR1 (0.59) PPARGCYP3A4FFAR1PPARA
SCHEMBL377641 0.80 FFAR1 (0.59) PPARGCYP3A4FFAR1PPARA
SCHEMBL3969699 0.80 FFAR1 (0.60) PPARGCYP3A4RXRAFFAR1PPARA
SCHEMBL6959041 0.80 FFAR1 (0.47) PPARGFFAR1PPARA
SCHEMBL6966643 0.80 FFAR1 (0.52) PPARGCYP3A4RXRAFFAR1PPARA

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