SCHEMBL7066044

SCHEMBL7066044

CC[C@H](C)CC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.44
NAAA Q02083 3/20 0.44
IL6ST P40189 1/20 0.42
IDH1 O75874 8/20 0.41
FAAH O00519 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ACE P12821 1/20 0.38
PPARG P37231 1/20 0.37

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
SCHEMBL3737218 1.00 PPARA (0.44) PPARANAAAIL6STIDH1FAAH
SCHEMBL4205626 1.00 PPARA (0.44) PPARANAAAIL6STIDH1FAAH
SCHEMBL4205621 1.00 PPARA (0.44) PPARANAAAIL6STIDH1FAAH
SCHEMBL4204054 0.91 PPARA (0.45) PPARANAAAIL6STIDH1FAAH
SCHEMBL4204056 0.91 PPARA (0.45) PPARANAAAIL6STIDH1FAAH
SCHEMBL4204060 0.91 PPARA (0.45) PPARANAAAIL6STIDH1FAAH
SCHEMBL7034652 0.89 NAAA (0.45) PPARANAAAIL6STIDH1FAAH
SCHEMBL7034658 0.89 NAAA (0.45) PPARANAAAIL6STIDH1FAAH
SCHEMBL1049822 0.89 NAAA (0.46) PPARANAAAIL6STIDH1FAAH
SCHEMBL2029159 0.89 NAAA (0.46) PPARANAAAIL6STIDH1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0966429-B1 VALNOCTAMIDE STEREOISOMERS, A METHOD FOR THEIR SYNTHESIS AND SEPARATION AND USES THEREOF YISSUM RES DEV CO (IL) 2003-06-04 EP disclosed
US-6417399-B1 ETHYLATION OF ISOLEUCINE TO 3-METHYLVALERIC ACID; HALOACYLATION TO METHYL VALEROYL CHLORIDE; CARBOXYLATION TO VALNOCTIC ACID; AMIDATION TO VALNOCTAMIDE; ANTIEPILEPTIC AGENTS; PSYCHOLOGICAL DISORDERS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2002-07-09 US disclosed
EP-0966429-A1 VALNOCTAMIDE STEREOISOMERS, A METHOD FOR THEIR SYNTHESIS AND SEPARATION AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 1999-12-29 EP disclosed
WO-1998030536-A1 VALNOCTAMIDE STEREOISOMERS, A METHOD FOR THEIR SYNTHESIS AND SEPARATION AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 1998-07-16 WO disclosed