SCHEMBL3946162

SCHEMBL3946162

COc1cccc(CCC2=C(C(=O)OCc3cccc(F)c3)C(c3c[nH]c4cnccc34)NC(=O)N2)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.41
ROCK2 O75116 2/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP12 P39900 1/20 0.39
MAPT P10636 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
GAA P10253 1/20 0.38
DGAT2 Q96PD7 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL3946281 0.91 PTGES (0.41) ROCK2MMP1MMP2MMP9MMP12
SCHEMBL3950166 0.90 ROCK2 (0.37) ROCK2MMP1MMP2MMP9MMP12
SCHEMBL3951590 0.88 FGFR1 (0.42) PKMMMP1MMP2MMP9MMP12
SCHEMBL3943049 0.87 HTT (0.48) PKMMAPTGAAHTT
SCHEMBL13942745 0.86 PKM (0.51) PKMMMP1MMP2MMP9MMP12
SCHEMBL13942747 0.84 PKM (0.51) PKMMMP1MMP2MMP9MMP12
SCHEMBL3943430 0.81 PKM (0.58) PKMRXFP1
SCHEMBL3946602 0.81 PKM (0.61) PKMRXFP1
SCHEMBL3942563 0.81 RXFP1 (0.49) PKMRXFP1
SCHEMBL3945411 0.81 RXFP1 (0.58) PKMRXFP1HTT

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
WO-2009020457-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 WO disclosed
WO-2009020457-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 WO disclosed