SCHEMBL7439441

SCHEMBL7439441

CC(C)(C)C(=O)OCOC(=O)[C@@H](Cc1ccccc1)C[C@H](Cc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.44
PRKCD Q05655 1/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ABCC3 O15438 1/20 0.44
NR1I2 O75469 1/20 0.44
ABCB11 O95342 1/20 0.44
NR3C1 P04150 1/20 0.44
RARG P13631 1/20 0.44
CNR1 P21554 1/20 0.44
OPRK1 P41145 1/20 0.44
NR1H2 P55055 1/20 0.44
PPARA Q07869 1/20 0.44
NR1H3 Q13133 1/20 0.44
NR1I3 Q14994 1/20 0.44
SLC15A1 P46059 2/20 0.42

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
SCHEMBL9622053 1.00 PRKCA (0.44) PRKCAPRKCDALDH1A1CYP1A2CYP3A4
SCHEMBL7428489 0.90 CYP1A2 (0.51) CYP1A2ANPEPSLC1A3SLC1A2SLC1A1
SCHEMBL7428482 0.90 CYP1A2 (0.51) CYP1A2ANPEPSLC1A3SLC1A2SLC1A1
SCHEMBL7435519 0.88 CYP1A2 (0.41) PRKCAPRKCDALDH1A1CYP1A2ANPEP
SCHEMBL7435528 0.88 CYP1A2 (0.41) PRKCAPRKCDALDH1A1CYP1A2ANPEP
SCHEMBL9622313 0.86 BIRC2 (0.53) MMEANPEP
SCHEMBL9622310 0.86 BIRC2 (0.53) MMEANPEP
SCHEMBL7432297 0.85 SLC15A1 (0.52) PRKCAPRKCDALDH1A1CYP1A2CYP3A4
SCHEMBL11071944 0.85 PRKCA (0.45) PRKCAPRKCDALDH1A1SLC15A1CTSB
SCHEMBL10814449 0.85 PRKCA (0.45) PRKCAPRKCDALDH1A1SLC15A1CTSB

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 8 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-1986000066-A1 N-SUBSTITUTED BUTYRAMIDE DERIVATIVES CIBA-GEIGY AG (CH) 1986-01-03 WO disclosed