SCHEMBL3942883

SCHEMBL3942883

COc1cccc(CCC2=C(C(=O)OCc3ccccc3)C(c3ccc(OC)c(F)c3)NC(=O)N2)c1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
GAA P10253 1/20 0.55
BLM P54132 1/20 0.55
PKM P14618 1/20 0.53
HTT P42858 1/20 0.50
MAPK10 P53779 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
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
SCHEMBL3951986 0.94 TSHR (0.47) TSHRGAABLMPKMHTT
SCHEMBL3951595 0.91 GAA (0.54) TSHRGAABLMPKMHTT
SCHEMBL3948655 0.90 RXFP1 (0.61) TSHRPKMMEN1KMT2ARXFP1
SCHEMBL3944709 0.90 PKM (0.57) TSHRGAABLMPKMMEN1
SCHEMBL3940586 0.89 PKM (0.68) TSHRGAABLMPKMRXFP1
SCHEMBL3950845 0.89 MEN1 (0.58) MEN1KMT2ARXFP1
SCHEMBL13942736 0.89 MEN1 (0.57) PKMMEN1KMT2A
SCHEMBL3944323 0.87 MEN1 (0.56) TSHRGAABLMMEN1KMT2A
SCHEMBL3950669 0.87 MEN1 (0.56) TSHRGAABLMMEN1KMT2A
SCHEMBL3943539 0.86 GAA (0.54) TSHRGAABLMPKMHTT

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