SCHEMBL6664535

SCHEMBL6664535

COc1ccccc1C(=O)C(C(=O)O)C(O)(CC(=O)O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
CTSD P07339 1/20 0.42
SLC13A5 Q86YT5 2/20 0.41
HPGD P15428 3/20 0.41
TP53 P04637 1/20 0.41
GLA P06280 1/20 0.41
GPR52 Q9Y2T5 1/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
KCNA3 P22001 1/20 0.39
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
STAT3 P40763 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL6663877 0.82 CPT2 (0.40) HPGDGPR52SMN1; SMN2KMT2ALMNA
SCHEMBL4966524 0.77 CPT2 (0.46) NPC1SLC13A5HPGDSMN1; SMN2RAB9A
SCHEMBL9339320 0.73 NPC1 (0.50) NPC1CTSDHPGDTP53GLA
SCHEMBL2124715 0.71 CTSD (0.51) NPC1CTSDHPGDTP53GLA
SCHEMBL6664533 0.71 CPT2 (0.42) SLC13A5CPT2ACLY
SCHEMBL7055752 0.70 KMT2A (0.54) NPC1CTSDHPGDTP53GLA
SCHEMBL28238120 0.70 NPC1 (0.47) NPC1CTSDHPGDTP53GLA
SCHEMBL6664530 0.70 NPC1 (0.47) NPC1CTSDSLC13A5HPGDTP53
SCHEMBL2722029 0.70 HPGD (0.43) NPC1CTSDHPGDTP53GLA
SCHEMBL7181728 0.70 HPGD (0.43) NPC1CTSDHPGDTP53GLA

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