SCHEMBL7444128

SCHEMBL7444128

CCOC(=O)C(Cc1ccccc1)CC(Cc1ccccc1)C(=O)NCCC(=O)O

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.67
MME P08473 1/20 0.64
MMEL1 Q495T6 1/20 0.56
EPHX2 P34913 1/20 0.55
PPARG P37231 1/20 0.55

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
SCHEMBL7444122 1.00 ACE (0.67) ACEMMEMMEL1EPHX2PPARG
SCHEMBL7437564 0.93 ACE (0.57) ACEMMEEPHX2PPARG
SCHEMBL7437561 0.93 ACE (0.57) ACEMMEEPHX2PPARG
SCHEMBL7438707 0.86 PPARG (0.54) ACEMMEEPHX2PPARG
SCHEMBL10710245 0.86 PPARG (0.54) ACEMMEEPHX2PPARG
SCHEMBL7442461 0.84 PPARG (0.52) ACEMMEEPHX2PPARG
SCHEMBL10821666 0.84 PPARG (0.52) ACEMMEEPHX2PPARG
SCHEMBL7432071 0.84 ACE (0.77) ACEMMEMMEL1
SCHEMBL10396440 0.84 ACE (0.77) ACEMMEMMEL1
SCHEMBL7437961 0.84 ACE (0.77) ACEMMEMMEL1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0185079-B1 N-SUBSTITUTED BUTYRAMIDE DERIVATIVES CIBA-GEIGY AG (CH) 1988-10-19 EP claimed
US-5096925-A N-substituted butyramide derivatives CIBA-GEIGY CORPORATION (US) 1992-03-17 US disclosed
US-4939261-A ANALGESICS, ANTIDEPRESSANTS, HYPOTENSIVE AGENTS, NEUROLEPTIC AGENTS CIBA-GEIGY CORPORATION (US) 1990-07-03 US disclosed
EP-0185079-A1 CIBA GEIGY AG 1986-06-25 EP disclosed
WO-1986000066-A1 N-SUBSTITUTED BUTYRAMIDE DERIVATIVES CIBA-GEIGY AG (CH) 1986-01-03 WO disclosed