SCHEMBL1463441

SCHEMBL1463441

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 1/20 0.44
ACLY P53396 1/20 0.44
HSPD1 P10809 1/20 0.38
BLM P54132 1/20 0.38
HSPE1 P61604 1/20 0.38
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
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
USP2 O75604 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
SCHEMBL11750766 0.88 USP2 (0.39) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL11750785 0.88 MEN1 (0.47) CPT2ACLYMEN1HPGDRECQL
SCHEMBL5067141 0.87 ACLY (0.46) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL11759624 0.84 CPT2 (0.43) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL11759770 0.81 HSPD1 (0.42) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL28860400 0.81 ACLY (0.55) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL284430 0.81 ACLY (0.55) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL9276069 0.79 HSPD1 (0.47) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL18725866 0.79 CPT2 (0.39) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL6363694 0.78 ACLY (0.47) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110070402-A1 Optical Element, and Process for Producing Electronic Equipment using the Optical Element KONICA MINOLTA OPTO, INC. (JP) 2011-03-24 US disclosed
US-4010253-A Process of suppressing odors employing deodorants containing esters of citric acid HENKEL & CIE G.M.B.H. (DT) 1977-03-01 US disclosed