SCHEMBL4731420

SCHEMBL4731420

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 1/20 0.48
ACLY P53396 1/20 0.48
HSPD1 P10809 1/20 0.41
BLM P54132 1/20 0.41
HSPE1 P61604 1/20 0.41
ALDH1A1 P00352 1/20 0.34
HMGCR P04035 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
ADRA1A P35348 1/20 0.34
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL4734046 0.85 CPT2 (0.44) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL4731096 0.81 ACLY (0.52) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL2190166 0.80 ACLY (0.64) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL2406240 0.79 CPT2 (0.48) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL4733497 0.79 CPT2 (0.48) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL284430 0.77 ACLY (0.55) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL28860400 0.77 ACLY (0.55) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL59972 0.76 ACLY (0.58) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL1409965 0.76 ACLY (0.58) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL1462468 0.76 ACLY (0.58) CPT2ACLYHSPD1BLMHSPE1

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
WO-2008043654-A2 BLOND CLEAR TREATMENT HENKEL AG & CO. KGAA (DE) 2008-04-17 WO disclosed