SCHEMBL7435519

SCHEMBL7435519

CC(C)(C)C(=O)OCOC(=O)[C@@H](Cc1ccccc1)C[C@H](Cc1ccccc1)C(=O)Cl

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
PRKCA P17252 1/20 0.39
PRKCD Q05655 1/20 0.39
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
CPA1 P15085 3/20 0.38
CPA3 P15088 3/20 0.38
FOLH1 Q04609 3/20 0.38
CPB1 P15086 1/20 0.38
CPB2 Q96IY4 1/20 0.38
EPHX2 P34913 1/20 0.37
PPARG P37231 1/20 0.37
ALDH1A1 P00352 1/20 0.36
NAALAD2 Q9Y3Q0 1/20 0.36
ANPEP P15144 1/20 0.36
RNPEP Q9H4A4 1/20 0.36
DNPEP Q9ULA0 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL7435528 1.00 CYP1A2 (0.41) CYP1A2PRKCAPRKCDSLC1A3SLC1A2
SCHEMBL7428482 0.89 CYP1A2 (0.51) CYP1A2SLC1A3SLC1A2SLC1A1CPA1
SCHEMBL7428489 0.89 CYP1A2 (0.51) CYP1A2SLC1A3SLC1A2SLC1A1CPA1
SCHEMBL9622053 0.88 PRKCA (0.44) CYP1A2PRKCAPRKCDSLC1A3SLC1A2
SCHEMBL7439441 0.88 PRKCA (0.44) CYP1A2PRKCAPRKCDSLC1A3SLC1A2
SCHEMBL7436477 0.80 EPHX2 (0.53) CYP1A2SLC1A3SLC1A2SLC1A1CPA1
SCHEMBL9622006 0.80 EPHX2 (0.53) CYP1A2SLC1A3SLC1A2SLC1A1CPA1
SCHEMBL7436470 0.80 EPHX2 (0.53) CYP1A2SLC1A3SLC1A2SLC1A1CPA1
SCHEMBL10710869 0.80 ACE (0.59)
SCHEMBL7437675 0.80 ACE (0.59)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5166212-A Hypotensive agents, analgesics CIBA-GEIGY CORPORATION (US) 1992-11-24 US disclosed
US-5096925-A N-substituted butyramide derivatives CIBA-GEIGY CORPORATION (US) 1992-03-17 US disclosed
US-5021430-A Enkephalinase inhibitors, analgesics, hypotensives CIBA-GEIGY CORPORATION (US) 1991-06-04 US disclosed
US-4939261-A ANALGESICS, ANTIDEPRESSANTS, HYPOTENSIVE AGENTS, NEUROLEPTIC AGENTS CIBA-GEIGY CORPORATION (US) 1990-07-03 US disclosed
EP-0185079-B1 N-SUBSTITUTED BUTYRAMIDE DERIVATIVES CIBA-GEIGY AG (CH) 1988-10-19 EP disclosed
EP-0225292-A2 Certain N-substituted butyramide derivatives CIBA-GEIGY AG (CH) 1987-06-10 EP disclosed
EP-0185079-A1 CIBA GEIGY AG 1986-06-25 EP disclosed
WO-1986001107-A1 TETRACYCLIC SPIRO-HYDANTOIN ALDOSE REDUCTASE INHIBITORS, COMPOSITIONS AND METHODS OF MAKING PFIZER INC. (US) 1986-02-27 WO disclosed
WO-1986000066-A1 N-SUBSTITUTED BUTYRAMIDE DERIVATIVES CIBA-GEIGY AG (CH) 1986-01-03 WO disclosed