SCHEMBL6664533

SCHEMBL6664533

O=C(O)CC(O)(C(=O)O)C(C(=O)O)C(=O)Oc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 1/20 0.42
ACLY P53396 1/20 0.42
ATM Q13315 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ALOX15 P16050 1/20 0.36
ELANE P08246 1/20 0.36
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
SLC13A5 Q86YT5 3/20 0.34
HSPD1 P10809 1/20 0.34
BLM P54132 1/20 0.34
HSPE1 P61604 1/20 0.34
SLC1A3 P43003 1/20 0.34
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP1A2 P05177 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
SCHEMBL30441388 0.81 TDP1 (0.46) CPT2ACLYL3MBTL1TDP1
SCHEMBL4966524 0.76 CPT2 (0.46) CPT2ACLYATML3MBTL1ALOX15
SCHEMBL11664479 0.74 CPT2 (0.43) CPT2ACLYALOX15CYP2C19HIF1A
SCHEMBL2190166 0.74 ACLY (0.64) CPT2ACLYCYP2C19HIF1AHSPD1
SCHEMBL28185557 0.71 CES2 (0.42) CPT2ACLYALOX15CYP2C19HIF1A
SCHEMBL6663877 0.71 CPT2 (0.40) CPT2ACLYCYP2C19HIF1AKDM4E
SCHEMBL11751951 0.71 ATM (0.40) ATML3MBTL1ELANECYP2C19HIF1A
SCHEMBL6664535 0.71 NPC1 (0.43) CPT2ACLYSLC13A5
SCHEMBL27847788 0.69 CPT2 (0.48) CPT2ACLYCYP2C19HIF1ASLC13A5
SCHEMBL8022216 0.69 L3MBTL1 (0.44) ATML3MBTL1ELANECYP2C19BLM

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