SCHEMBL3943032

SCHEMBL3943032

COc1cccc(CCC2=C(C(=O)OCc3ccccc3)C(c3ccnc(C)c3)NC(=O)N2)c1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.51
GAA P10253 1/20 0.51
TSHR P16473 1/20 0.51
BLM P54132 1/20 0.51

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
SCHEMBL3950570 0.92 TSHR (0.54) TSHR
SCHEMBL3944709 0.90 PKM (0.57) PKMGAATSHRBLM
SCHEMBL13942600 0.90 MEN1 (0.54) PKMGAATSHRBLM
SCHEMBL13942736 0.89 MEN1 (0.57) PKM
SCHEMBL3950669 0.88 MEN1 (0.56) GAATSHRBLM
SCHEMBL3950845 0.88 MEN1 (0.58)
SCHEMBL13942731 0.86 PKM (0.49) PKM
SCHEMBL3940586 0.86 PKM (0.68) PKMGAATSHRBLM
SCHEMBL13942724 0.86 PKM (0.53) PKMGAATSHRBLM
SCHEMBL3944323 0.86 MEN1 (0.56) GAATSHRBLM

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