SCHEMBL8896558

SCHEMBL8896558

CCCC(C)(C)CCCC(O)CC

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
TSHR P16473 1/20 0.33
GPR84 Q9NQS5 4/20 0.32
FFAR4 Q5NUL3 1/20 0.31
FFAR1 O14842 1/20 0.31
CA2 P00918 2/20 0.31
MAPK1 P28482 1/20 0.31
NFKB1 P19838 1/20 0.31
CA1 P00915 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
SCHEMBL9446083 0.93 ACACB (0.39) ACACBACACATSHRGPR84FFAR4
SCHEMBL18250779 0.88 TSHR (0.35) TSHR
SCHEMBL8896548 0.87 GPR84 (0.42) ACACBACACAGPR84FFAR4FFAR1
SCHEMBL8898711 0.85 ACACB (0.44) ACACBACACAGPR84FFAR4FFAR1
SCHEMBL20076356 0.84 ACACB (0.36) ACACBACACATSHR
SCHEMBL19861383 0.84 ACACB (0.36) ACACBACACATSHR
SCHEMBL8898822 0.84 ACACB (0.36) ACACBACACATSHR
SCHEMBL18722151 0.83 TSHR (0.36) ACACBACACATSHR
SCHEMBL19159866 0.81 ACACB (0.40) ACACBACACATSHR
SCHEMBL14472608 0.80 TSHR (0.39) ACACBACACATSHR

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