SCHEMBL3944709

SCHEMBL3944709

COc1cccc(CCC2=C(C(=O)OCc3ccccc3)C(c3cccc(OC)c3)NC(=O)N2)c1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.57
GAA P10253 1/20 0.55
TSHR P16473 1/20 0.55
BLM P54132 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54

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
SCHEMBL13942736 0.97 MEN1 (0.57) PKMMEN1KMT2A
SCHEMBL3950733 0.94 PKM (0.55) PKM
SCHEMBL13942724 0.94 PKM (0.53) PKMGAATSHRBLMMEN1
SCHEMBL3940586 0.94 PKM (0.68) PKMGAATSHRBLM
SCHEMBL3950845 0.93 MEN1 (0.58) MEN1KMT2A
SCHEMBL3944323 0.92 MEN1 (0.56) GAATSHRBLMMEN1KMT2A
SCHEMBL3950669 0.92 MEN1 (0.56) GAATSHRBLMMEN1KMT2A
SCHEMBL13942600 0.92 MEN1 (0.54) PKMGAATSHRBLMMEN1
SCHEMBL3948655 0.91 RXFP1 (0.61) PKMTSHRMEN1KMT2A
SCHEMBL3943430 0.91 PKM (0.58) PKM

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