SCHEMBL7872616

SCHEMBL7872616

CCOC(=O)CN1C(=O)C(NC(=O)OCc2ccccc2)CSc2cc(C)ccc21

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.47
MME P08473 3/20 0.47
NPSR1 Q6W5P4 1/20 0.45
PREP P48147 2/20 0.42
XIAP P98170 1/20 0.42
ALDH1A1 P00352 1/20 0.41
NAAA Q02083 1/20 0.41

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
SCHEMBL7872618 1.00 ACE (0.47) ACEMMENPSR1PREPXIAP
SCHEMBL11061682 0.92 ACE (0.56) ACEMMENPSR1PREPXIAP
SCHEMBL7864413 0.92 ACE (0.56) ACEMMENPSR1PREPXIAP
SCHEMBL7864412 0.92 ACE (0.56) ACEMMENPSR1PREPXIAP
SCHEMBL11067510 0.84 ACE (0.55) ACEMMENPSR1PREPXIAP
SCHEMBL7876237 0.82 SRC (0.49) ACEMME
SCHEMBL7876236 0.82 SRC (0.49) ACEMME
SCHEMBL10855859 0.81 ACE (0.52) ACEMMEXIAP
SCHEMBL10855731 0.81 ACE (0.52) ACEMMEXIAP
SCHEMBL7864426 0.78 ALDH1A1 (0.50) NPSR1ALDH1A1

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
US-6316413-B1 HETEROCYCLIC OLIGOPEPTIDE DERIVATIVES FOURNIER INDUSTRIE ET SANTE (FR) 2001-11-13 US disclosed