SCHEMBL6958822

SCHEMBL6958822

O=C1NC(=O)C(Cc2cnc3cc(OCc4ccc(OC(F)(F)F)cc4)ccc3c2)S1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.52
PPARA Q07869 6/20 0.52
PPARG P37231 7/20 0.46
CYP3A4 P08684 1/20 0.46
RXRA P19793 1/20 0.46
MPC2 O95563 1/20 0.45
CYP2C8 P10632 1/20 0.45
CYP2C9 P11712 1/20 0.45
MAOB P27338 2/20 0.44

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
SCHEMBL3969699 0.91 FFAR1 (0.60) FFAR1PPARAPPARGCYP3A4RXRA
SCHEMBL6964001 0.87 PPARG (0.56) FFAR1PPARAPPARGCYP3A4RXRA
SCHEMBL377641 0.87 FFAR1 (0.59) FFAR1PPARAPPARGCYP3A4
SCHEMBL29602962 0.87 FFAR1 (0.59) FFAR1PPARAPPARGCYP3A4
SCHEMBL6958784 0.86 FFAR1 (0.58) FFAR1PPARAPPARGCYP3A4RXRA
SCHEMBL6963885 0.86 FFAR1 (0.53) FFAR1PPARAPPARGCYP3A4RXRA
SCHEMBL6956120 0.86 FFAR1 (0.63) FFAR1PPARAPPARG
SCHEMBL6959296 0.84 FFAR1 (0.51) FFAR1PPARAPPARGCYP3A4RXRA
SCHEMBL6954874 0.83 PPARG (0.63) FFAR1PPARAPPARGCYP3A4RXRA
SCHEMBL6955421 0.83 FFAR1 (0.47) FFAR1PPARAPPARG

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