SCHEMBL8898874

SCHEMBL8898874

CC(C)C(=O)CCCCC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.34
LTA4H P09960 1/20 0.34
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.32
FAAH O00519 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
FFAR1 O14842 1/20 0.32
CPT2 P23786 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 0.31

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
SCHEMBL14410296 0.93 LTA4H (0.31) CES2LTA4H
SCHEMBL25691547 0.85 HRH3 (0.33)
SCHEMBL8552453 0.83
SCHEMBL17992598 0.83 CES2 (0.44) CES2LTA4HMEN1FAAHMAPK1
SCHEMBL27111207 0.82 ALDH1A1 (0.38) ALDH1A1FAAH
SCHEMBL18751717 0.80 CES2 (0.48) CES2LTA4HMEN1FAAHMAPK1
SCHEMBL9973396 0.80 CES2 (0.48) CES2LTA4HMEN1FAAHMAPK1
SCHEMBL9973392 0.80 CES2 (0.48) CES2LTA4HMEN1FAAHMAPK1
SCHEMBL26203818 0.80 CES2 (0.48) CES2LTA4HMEN1FAAHMAPK1
SCHEMBL26203820 0.80 CES2 (0.48) CES2LTA4HMEN1FAAHMAPK1

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