SCHEMBL8895644

SCHEMBL8895644

CC(O)CCCCCCCCCC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.42
ACACA Q13085 1/20 0.42
TRPV1 Q8NER1 1/20 0.37
TRPA1 O75762 1/20 0.37
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
RIPK1 Q13546 2/20 0.33
SPHK1 Q9NYA1 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 2/20 0.30
TSHR P16473 1/20 0.30
FFAR1 O14842 1/20 0.30
CPT2 P23786 1/20 0.30

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
SCHEMBL27277421 1.00 ACACB (0.42) ACACBACACATRPV1TRPA1ALDH1A1
SCHEMBL27574599 1.00 ACACB (0.42) ACACBACACATRPV1TRPA1ALDH1A1
SCHEMBL10925030 1.00 ACACB (0.42) ACACBACACATRPV1TRPA1ALDH1A1
SCHEMBL1658040 1.00 ACACB (0.42) ACACBACACATRPV1TRPA1ALDH1A1
SCHEMBL1660177 0.97 ACACB (0.39) ACACBACACATRPV1TRPA1ALDH1A1
SCHEMBL25927335 0.92 RIPK1 (0.37) ACACBACACATRPV1TRPA1ALDH1A1
SCHEMBL25927332 0.92 RIPK1 (0.37) ACACBACACATRPV1TRPA1ALDH1A1
SCHEMBL1658860 0.92 RIPK1 (0.37) ACACBACACATRPV1TRPA1ALDH1A1
SCHEMBL9717472 0.85 ACACB (0.42) ACACBACACATRPV1TRPA1ALDH1A1
SCHEMBL8316103 0.83 ALDH1A1 (0.41) ACACBACACATRPV1TRPA1ALDH1A1

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 7 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
US-4160865-A Asymmetric synthesis HOFFMANN-LA ROCHE INC. (US) 1979-07-10 US disclosed
US-4102909-A Optically active esters and amides HOFFMANN-LA ROCHE INC. (US) 1978-07-25 US disclosed
US-4045475-A Optically active alcohols and lower esters thereof HOFFMANN-LA ROCHE INC. (US) 1977-08-30 US disclosed
US-4000169-A ASYMMETRIC SYNTHESIS OF OPTICALLY ACTIVE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 1976-12-28 US disclosed