SCHEMBL8180895

SCHEMBL8180895

Bc1ccc2c(c1)c(CC(=O)O)c(C(=O)NCc1cccc(-c3ccccc3)c1)n2Cc1ccc(C(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.52
S1PR3 Q99500 3/20 0.43
FOLH1 Q04609 1/20 0.42
F10 P00742 2/20 0.42
PTGER4 P35408 1/20 0.42
F2 P00734 1/20 0.42
YWHAH Q04917 1/20 0.41
PLA2G2A P14555 1/20 0.41
PTGES2 Q9H7Z7 1/20 0.41
KLKB1 P03952 1/20 0.40
KLK1 P06870 1/20 0.40

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
SCHEMBL8171613 0.94 PPARG (0.50) PPARGS1PR3PTGER4PLA2G2APTGES2
SCHEMBL8165177 0.93 PPARG (0.47) PPARGS1PR3FOLH1F10PTGER4
SCHEMBL13931394 0.90 PPARG (0.52) PPARGS1PR3FOLH1F10PTGER4
SCHEMBL13931390 0.84 PPARG (0.50) PPARGPTGER4PLA2G2APTGES2KLKB1
SCHEMBL8167666 0.84 POLB (0.58) PPARGS1PR3FOLH1F10PTGER4
SCHEMBL4261606 0.84 S1PR3 (0.52) PPARGS1PR3FOLH1F10PTGER4
SCHEMBL8167668 0.84 PLA2G1B (0.43) PPARGFOLH1YWHAHPLA2G2A
SCHEMBL13931389 0.83 PLA2G2A (0.49) PPARGS1PR3FOLH1F10PTGER4
SCHEMBL8174763 0.82 KMT2A (0.43) PPARGPTGER4
SCHEMBL8167328 0.80 MEN1 (0.52) PPARGS1PR3FOLH1PTGER4PTGES2

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
WO-2008100867-A2 NOVEL INHIBITORS HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2008-08-21 WO disclosed