SCHEMBL3948655

SCHEMBL3948655

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

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.61
PKM P14618 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
TSHR P16473 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
SCHEMBL3945411 0.94 RXFP1 (0.58) RXFP1PKMMEN1KMT2ATSHR
SCHEMBL3950845 0.94 MEN1 (0.58) RXFP1MEN1KMT2A
SCHEMBL13942736 0.94 MEN1 (0.57) PKMMEN1KMT2A
SCHEMBL3940586 0.92 PKM (0.68) RXFP1PKMTSHR
SCHEMBL3943805 0.92 PKM (0.60) RXFP1PKMMEN1KMT2A
SCHEMBL3950669 0.92 MEN1 (0.56) RXFP1MEN1KMT2ATSHR
SCHEMBL3944323 0.92 MEN1 (0.56) MEN1KMT2ATSHR
SCHEMBL3943267 0.91 RXFP1 (0.71) RXFP1MEN1KMT2A
SCHEMBL3947606 0.91 RXFP1 (0.71) RXFP1MEN1KMT2A
SCHEMBL3944709 0.91 PKM (0.57) PKMMEN1KMT2ATSHR

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