SCHEMBL9550997

SCHEMBL9550997

O=C(O)CC(O)(C(=O)O)C([SiH3])C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 5/20 0.59
CPT2 P23786 1/20 0.59
HSPD1 P10809 1/20 0.44
BLM P54132 1/20 0.44
HSPE1 P61604 1/20 0.44
ALDH1A1 P00352 1/20 0.42
HMGCR P04035 1/20 0.37
CHRM1 P11229 1/20 0.37
TBXA2R P21731 1/20 0.37
ADRA1A P35348 1/20 0.37
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.30
HPGD P15428 1/20 0.30
RECQL P46063 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL679467 0.77 ACLY (0.59) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL4416232 0.77 ACLY (0.59) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL31629798 0.77 ACLY (0.59) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL17656832 0.77 ACLY (0.59) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL2190166 0.76 ACLY (0.64) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL17181757 0.74 ACLY (1.00) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL17181773 0.74 ACLY (1.00) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL2111332 0.74 ACLY (1.00) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL6773065 0.74 ACLY (1.00) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL2110910 0.74 ACLY (1.00) ACLYCPT2HSPD1BLMHSPE1

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-5244665-A Citric acid triesters to repair UV damage to skin CHESEBROUGH-POND'S USA CO., DIVISION OF CONOPCO, INC. (US) 1993-09-14 US disclosed