SCHEMBL3950669

SCHEMBL3950669

COc1cccc(CCC2=C(C(=O)OCc3ccccc3)C(c3ccc(C)cc3)NC(=O)N2)c1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
TSHR P16473 3/20 0.54
GAA P10253 1/20 0.54
BLM P54132 1/20 0.54
ALDH1A1 P00352 2/20 0.54
LMNA P02545 1/20 0.54
POLB P06746 1/20 0.54
KDM4E B2RXH2 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
RXFP1 Q9HBX9 1/20 0.52

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
SCHEMBL3950845 0.94 MEN1 (0.58) MEN1KMT2ARXFP1
SCHEMBL13942736 0.94 MEN1 (0.57) MEN1KMT2A
SCHEMBL3944323 0.93 MEN1 (0.56) MEN1KMT2ATSHRGAABLM
SCHEMBL3948655 0.92 RXFP1 (0.61) MEN1KMT2ATSHRRXFP1
SCHEMBL3944709 0.92 PKM (0.57) MEN1KMT2ATSHRGAABLM
SCHEMBL13942600 0.91 MEN1 (0.54) MEN1KMT2ATSHRGAABLM
SCHEMBL3950017 0.91 ALDH1A1 (0.62) MEN1KMT2ATSHRALDH1A1LMNA
SCHEMBL3943333 0.90 GPBAR1 (0.46) TSHRGAABLM
SCHEMBL3943032 0.88 PKM (0.51) TSHRGAABLM
SCHEMBL3940586 0.88 PKM (0.68) TSHRGAABLMRXFP1

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