SCHEMBL7419688

SCHEMBL7419688

[CH2]COc1c(C=COCC)cc(CC)cc1C(Nc1ccc(C#N)cc1)C(=O)OC

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
EPHX2 P34913 1/20 0.31
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL5883061 0.83 AR (0.34) EPHX2MEN1MAPTKMT2A
SCHEMBL5882935 0.82 MAPT (0.33) FNTAFNTBEPHX2MEN1MAPT
SCHEMBL5882217 0.81 MMP2 (0.33) EPHX2MEN1MAPTKMT2A
SCHEMBL5882401 0.79 THRA (0.33) MEN1MAPTKMT2A
SCHEMBL5883143 0.73 KMT2A (0.36) MEN1MAPTKMT2A
SCHEMBL5882851 0.73 KMT2A (0.35) MEN1MAPTKMT2A
SCHEMBL5883108 0.69 PTGDR2 (0.37) MEN1MAPTKMT2A
SCHEMBL5883227 0.68 F7 (0.46)
SCHEMBL5882852 0.67 F7 (0.43)
SCHEMBL5884044 0.66 F7 (0.32) FNTAFNTBEPHX2MEN1MAPT

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
EP-1149069-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP disclosed
WO-2000035858-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO disclosed