SCHEMBL8895992

SCHEMBL8895992

CCCCCCC(C)(C)C(=O)CC

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.45
FAAH O00519 7/20 0.43
CES1 P23141 5/20 0.43
GGPS1 O95749 3/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
FDPS P14324 4/20 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
SCHEMBL13267820 1.00 CES2 (0.45) CES2FAAHCES1GGPS1MEN1
SCHEMBL14042583 0.91 FAAH (0.38) CES2FAAHCES1MEN1CYP1A2
SCHEMBL8897279 0.84 FAAH (0.57) CES2FAAHCES1MEN1CYP1A2
SCHEMBL1870128 0.84 FAAH (0.57) CES2FAAHCES1MEN1CYP1A2
SCHEMBL8899029 0.84 FAAH (0.47) CES2FAAHCES1MEN1CYP1A2
SCHEMBL24599673 0.83 SMPD1 (0.47) CES2FAAHCES1GGPS1MEN1
SCHEMBL21757263 0.83 SMPD1 (0.47) CES2FAAHCES1GGPS1MEN1
SCHEMBL9579989 0.82 CYP4F2 (0.41) CES2FAAHCES1GGPS1MEN1
SCHEMBL19133167 0.82 CES2 (0.45) CES2FAAHCES1GGPS1MEN1
SCHEMBL20169528 0.81 CES2 (0.42) CES2FAAHCES1GGPS1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0531715-B1 Process for producing alcohols and ketones SUMITOMO CHEMICAL CO (JP) 1997-11-05 EP disclosed
US-5426237-A Oxidation of straight, branched or cyclic alkanes and benzene derivatives in presence of transition metal catalyst and aldehyde SUMITOMO CHEMICAL CO., LTD. (JP) 1995-06-20 US disclosed
EP-0531715-A1 Process for producing alcohols and ketones SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-03-17 EP disclosed