SCHEMBL9717472

SCHEMBL9717472

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.42
ACACA Q13085 1/20 0.42
TDP1 Q9NUW8 2/20 0.39
FFAR1 O14842 1/20 0.39
CPT2 P23786 1/20 0.39
TRPV1 Q8NER1 1/20 0.37
TRPA1 O75762 1/20 0.37
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
SPHK1 Q9NYA1 1/20 0.32
MAPK1 P28482 1/20 0.32
TSHR P16473 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
SCHEMBL8897689 0.91 SPHK1 (0.45) FFAR1SPHK1
SCHEMBL8895629 0.91 SPHK1 (0.41) ACACBACACATDP1FFAR1CPT2
SCHEMBL27498488 0.91 SPHK1 (0.45) FFAR1SPHK1
SCHEMBL8896948 0.89 ACACB (0.38) ACACBACACATDP1FFAR1CPT2
SCHEMBL7789316 0.89 ACACB (0.34) ACACBACACATDP1FFAR1CPT2
SCHEMBL1657860 0.86 ACACB (0.35) ACACBACACATDP1FFAR1CPT2
SCHEMBL27277421 0.85 ACACB (0.42) ACACBACACATDP1FFAR1CPT2
SCHEMBL10925030 0.85 ACACB (0.42) ACACBACACATDP1FFAR1CPT2
SCHEMBL27574599 0.85 ACACB (0.42) ACACBACACATDP1FFAR1CPT2
SCHEMBL1658040 0.85 ACACB (0.42) ACACBACACATDP1FFAR1CPT2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5145911-A Impact strength, blend with diene rubber and other addition polymer BAYER AKTIENGESELLSCHAFT (JP) 1992-09-08 US disclosed