SCHEMBL8896813

SCHEMBL8896813

CCCCC(C)(C)C(=O)CCC

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.41
CES1 P23141 11/20 0.40
CES2 O00748 8/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 2/20 0.38
AKR1B1 P15121 1/20 0.37
TP53 P04637 1/20 0.37
FFAR3 O14843 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 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
SCHEMBL8899029 0.91 FAAH (0.47) FAAHCES1CES2MEN1CYP1A2
SCHEMBL8897721 0.86 FAAH (0.57) FAAHCES1CES2MEN1CYP1A2
SCHEMBL28946097 0.85 CES1 (0.41) FAAHCES1CES2MEN1CYP1A2
SCHEMBL19333175 0.85 FAAH (0.38) FAAHCES1CES2MEN1CYP1A2
SCHEMBL14042583 0.83 FAAH (0.38) FAAHCES1CES2MEN1CYP1A2
SCHEMBL11547455 0.83 FAAH (0.41) FAAHCES1CES2MEN1CYP1A2
SCHEMBL20844358 0.83 FDPS (0.39) FAAHCES1CES2MEN1CYP1A2
SCHEMBL22956013 0.83 FAAH (0.41) FAAHCES1CES2MEN1CYP1A2
SCHEMBL1870128 0.82 FAAH (0.57) FAAHCES1CES2MEN1CYP1A2
SCHEMBL8897279 0.82 FAAH (0.57) FAAHCES1CES2MEN1CYP1A2

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