SCHEMBL7308512

SCHEMBL7308512

CC(C(=O)O)N1CC=CC=CC1=O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ACE P12821 1/20 0.32
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL7300118 0.83 RAB9A (0.33)
SCHEMBL12395175 0.80
SCHEMBL8141483 0.68
SCHEMBL11179340 0.67 ALDH1A1 (0.31) ALDH1A1
SCHEMBL3369579 0.66
SCHEMBL10948087 0.66 ALDH1A1 (0.30) ALDH1A1
SCHEMBL10948081 0.66 ALDH1A1 (0.30) ALDH1A1
SCHEMBL932564 0.65 CSNK2A2 (0.48) MEN1KMT2ACSNK2A2CSNK2BCSNK2A1
SCHEMBL43717 0.65 CSNK2A2 (0.48) MEN1KMT2ACSNK2A2CSNK2BCSNK2A1
SCHEMBL7906023 0.65

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
EP-0728746-A1 Azepinone compounds useful in the inhibition of ACE and NEP BRISTOL-MYERS SQUIBB COMPANY (US) 1996-08-28 EP disclosed