SCHEMBL6663877

SCHEMBL6663877

Cc1ccccc1C(=O)C(C(=O)O)C(O)(CC(=O)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 1/20 0.40
ACLY P53396 1/20 0.40
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HPGD P15428 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GPR52 Q9Y2T5 1/20 0.37
KMT2A Q03164 1/20 0.36
FFAR1 O14842 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL28185557 0.83 CES2 (0.42) CPT2ACLYERCC5FEN1HPGD
SCHEMBL6664535 0.82 NPC1 (0.43) CPT2ACLYHPGDSMN1; SMN2GPR52
SCHEMBL4966524 0.80 CPT2 (0.46) CPT2ACLYHPGDSMN1; SMN2KMT2A
SCHEMBL8193953 0.72 ERCC5 (0.45) ERCC5FEN1HPGDSMN1; SMN2GPR52
SCHEMBL2190166 0.72 ACLY (0.64) CPT2ACLYHPGDKMT2ACYP2C19
Citric Acid SCHEMBL27897976 0.71 ALDH1A1 (0.60) KMT2ACYP2C19HIF1AKDM4ELMNA
SCHEMBL6664533 0.71 CPT2 (0.42) CPT2ACLYCYP2C19HIF1AKDM4E
SCHEMBL30441388 0.70 TDP1 (0.46) CPT2ACLYSLC6A2SLC6A3SMN1; SMN2
SCHEMBL21247055 0.69 ALDH1A1 (0.45) GPR52KMT2ACYP2C19LMNA
SCHEMBL284430 0.69 ACLY (0.55) CPT2ACLYHPGDKMT2ACYP2C19

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-2004010985-A1 PERSONAL DEODORANT BETTS JOHN ADRIAN (GB) 2004-02-05 WO claimed