SCHEMBL8897319

SCHEMBL8897319

CCCCC(O)CC(C)(C)CCC

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 5/20 0.35
CA2 P00918 6/20 0.34
MAPK1 P28482 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
FFAR1 O14842 1/20 0.34
CA1 P00915 3/20 0.33
NFKB1 P19838 1/20 0.33
ALDH1A1 P00352 1/20 0.32
FDPS P14324 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
SCHEMBL8895721 0.88 GPR84 (0.41) GPR84CA2FFAR4ACACBACACA
SCHEMBL8897051 0.84 GPR84 (0.36) GPR84CA2MAPK1FFAR4FFAR1
SCHEMBL8897114 0.83 GPR84 (0.46) GPR84FFAR4ACACBACACAFFAR1
SCHEMBL12595644 0.79 GPR84 (0.39) GPR84CA2MAPK1FFAR4FFAR1
SCHEMBL8898395 0.77 FFAR4 (0.41) GPR84CA2MAPK1FFAR4ACACB
SCHEMBL11430722 0.77 GPR84 (0.38) GPR84CA2MAPK1FFAR4FFAR1
SCHEMBL8896063 0.77 GPR84 (0.47) GPR84FFAR4FFAR1NFKB1
SCHEMBL19558233 0.76 CA1 (0.33) CA2CA1ALDH1A1
SCHEMBL8896558 0.76 ACACB (0.35) GPR84CA2MAPK1FFAR4ACACB
SCHEMBL8895383 0.76 TSHR (0.33) CA2MAPK1CA1FDPS

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