SCHEMBL6664530

SCHEMBL6664530

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
CTSD P07339 1/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KMT2A Q03164 2/20 0.45
HPGD P15428 3/20 0.44
ALDH1A1 P00352 3/20 0.44
TP53 P04637 1/20 0.44
GLA P06280 1/20 0.44
SLC13A5 Q86YT5 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RAB9A P51151 2/20 0.43
ATM Q13315 1/20 0.43
HTT P42858 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
XBP1 P17861 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL793901 0.86 CYP2C19 (0.44) NPC1NPSR1KMT2AALDH1A1TP53
SCHEMBL6663875 0.82 L3MBTL1 (0.44) NPC1MAPTKMT2AHPGDSMN1; SMN2
SCHEMBL11335415 0.82 MAPT (0.41) MAPTKMT2AALDH1A1SLC13A5SMN1; SMN2
SCHEMBL793900 0.81 ALDH1A1 (0.51) MAPTKMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL2712904 0.80 TDP1 (0.53) NPC1MAPTKMT2AHPGDALDH1A1
SCHEMBL3485285 0.79 TDP1 (0.51) NPC1MAPTKMT2AHPGDALDH1A1
SCHEMBL2071064 0.76 TDP1 (0.47) MAPTKMT2AHPGDALDH1A1TP53
SCHEMBL934637 0.76 MAPT (0.58) NPC1CTSDMAPTNPSR1KMT2A
Glycinebetaine SCHEMBL2874711 0.76 KDM4E (0.45) MAPTKMT2AHPGDALDH1A1ESR1
SCHEMBL2584990 0.75 CYP2C19 (0.36) NPC1MAPTKMT2AHPGDALDH1A1

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