SCHEMBL8896895

SCHEMBL8896895

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
FFAR1 O14842 1/20 0.46
CPT2 P23786 1/20 0.46
FDPS P14324 1/20 0.34
CES2 O00748 3/20 0.33
CES1 P23141 2/20 0.33
CCR2 P41597 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
FAAH O00519 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
SCHEMBL8895516 0.91 FFAR1 (0.54) TDP1FFAR1CPT2FDPSCES2
SCHEMBL14139514 0.86 TDP1 (0.43) TDP1FFAR1CPT2FDPSALDH1A1
SCHEMBL13260933 0.83 FFAR1 (0.43) TDP1FFAR1CPT2FDPSCES2
SCHEMBL8896261 0.81 KMT2A (0.50) TDP1FFAR1CPT2CES2CES1
SCHEMBL1410643 0.79 FFAR1 (0.48) TDP1FFAR1CPT2FDPSCES2
SCHEMBL20490041 0.79 FFAR1 (0.48) TDP1FFAR1CPT2FDPSCES2
SCHEMBL12451278 0.79 TDP1 (0.74) TDP1FFAR1CPT2ALDH1A1KMT2A
SCHEMBL1781887 0.79 TDP1 (0.48) TDP1FFAR1CPT2FDPSCES2
SCHEMBL8895698 0.77 TDP1 (0.52) TDP1FFAR1CPT2CES2CES1
SCHEMBL8898593 0.77 KMT2A (0.45) TDP1FFAR1CPT2CES2CES1

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