SCHEMBL3943430

SCHEMBL3943430

COc1cccc(CCC2=C(C(=O)OCc3cccc(F)c3)C(c3cccc(OC)c3)NC(=O)N2)c1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.58
TP53 P04637 1/20 0.49
RXFP1 Q9HBX9 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
SCHEMBL3946602 0.98 PKM (0.61) PKMTP53RXFP1
SCHEMBL3943805 0.96 PKM (0.60) PKMRXFP1
SCHEMBL3941629 0.95 PKM (0.57) PKMRXFP1
SCHEMBL3943252 0.94 PKM (0.54) PKMTP53RXFP1
SCHEMBL3945411 0.94 RXFP1 (0.58) PKMRXFP1
SCHEMBL3940586 0.94 PKM (0.68) PKMRXFP1
SCHEMBL3952013 0.92 PKM (0.56) PKMTP53RXFP1
SCHEMBL13942594 0.92 PKM (0.56) PKMTP53RXFP1
SCHEMBL13942745 0.92 PKM (0.51) PKMRXFP1
SCHEMBL3950554 0.92 PKM (0.52) PKMTP53RXFP1

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