SCHEMBL3941629

SCHEMBL3941629

COc1ccc(CCC2=C(C(=O)OCc3cccc(F)c3)C(c3cccc(OC)c3)NC(=O)N2)cc1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.57
RXFP1 Q9HBX9 1/20 0.54
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
MAPK10 P53779 1/20 0.49

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
SCHEMBL3947170 0.96 PKM (0.61) PKMRXFP1TSHRHTTMAPK10
SCHEMBL3943430 0.95 PKM (0.58) PKMRXFP1
SCHEMBL3946602 0.93 PKM (0.61) PKMRXFP1
SCHEMBL3941330 0.93 PKM (0.54) PKMRXFP1TSHRHTTMAPK10
SCHEMBL3944881 0.92 RXFP1 (0.65) PKMRXFP1TSHRHTT
SCHEMBL3950733 0.91 PKM (0.55) PKM
SCHEMBL13942373 0.91 PKM (0.56) PKMRXFP1TSHRHTTMAPK10
SCHEMBL3943805 0.90 PKM (0.60) PKMRXFP1
SCHEMBL4533026 0.90 PKM (0.52) PKMRXFP1TSHRHTTMAPK10
SCHEMBL3942206 0.90 TSHR (0.49) TSHRHTTMAPK10

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