SCHEMBL28964266

SCHEMBL28964266

CCC(O)CC(C)(C)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.45
ACACA Q13085 1/20 0.45
TSHR P16473 3/20 0.35
ACLY P53396 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CA2 P00918 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
TET2 Q6N021 1/20 0.31
SLC22A6 Q4U2R8 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
SCHEMBL7698392 0.83 ACACB (0.47) ACACBACACATSHRACLYALDH1A1
SCHEMBL10354570 0.79 ACACB (0.44) ACACBACACATSHRACLYALDH1A1
SCHEMBL4160188 0.78 ACACB (0.38) ACACBACACATSHRACLYALDH1A1
SCHEMBL5059415 0.77 GGT1 (0.41) ACACBACACATSHRALDH1A1
SCHEMBL19283475 0.77 ACACB (0.42) ACACBACACATSHRACLYALDH1A1
SCHEMBL7048284 0.77 ACACB (0.57) ACACBACACATSHRACLYALDH1A1
SCHEMBL28322374 0.77 ACACB (0.47) ACACBACACATSHRACLYALDH1A1
SCHEMBL9709917 0.76 ACACB (0.36) ACACBACACATSHRACLYALDH1A1
SCHEMBL4611420 0.76 ACACB (0.36) ACACBACACATSHRACLYALDH1A1
SCHEMBL9529289 0.76 ACACB (0.71) ACACBACACATSHRACLYCA2

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
CN-115348982-A Chloroprene block copolymer, latex composition, and rubber composition 电化株式会社 2022-11-15 CN disclosed