SCHEMBL7128802

SCHEMBL7128802

COc1cccc(C(=O)O)c1-c1ccccc1C(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.51
KCNK9 Q9NPC2 1/20 0.51
FABP3 P05413 1/20 0.49
FABP4 P15090 1/20 0.49
FABP5 Q01469 1/20 0.49
HTT P42858 1/20 0.49
ALDH1A1 P00352 6/20 0.46
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.46
LPAR1 Q92633 1/20 0.46
NR3C1 P04150 1/20 0.46
HPGD P15428 5/20 0.45
KDM4E B2RXH2 3/20 0.45
HSD17B10 Q99714 2/20 0.45
XBP1 P17861 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL7475795 0.85 HTT (0.57) FABP3FABP4FABP5HTTALDH1A1
SCHEMBL13888684 0.83 MEN1 (0.50) KCNK3KCNK9HTTALDH1A1MAPT
SCHEMBL7794937 0.83 FABP3 (0.49) KCNK3KCNK9FABP3FABP4FABP5
SCHEMBL28370924 0.80 MYC (0.61) FABP3FABP4FABP5HTTALDH1A1
SCHEMBL15057628 0.79 ALDH1A1 (0.49) ALDH1A1MAPTL3MBTL1LMNAKDM4E
SCHEMBL5845535 0.77 FABP4 (0.70) FABP3FABP4FABP5HTTALDH1A1
SCHEMBL30036475 0.76 KCNK3 (0.43) KCNK3KCNK9FABP3FABP4FABP5
SCHEMBL4600188 0.76 MYC (0.50) FABP4FABP5ALDH1A1MAPTL3MBTL1
SCHEMBL6681669 0.76 MAOB (0.49) FABP3FABP4FABP5HTTALDH1A1
SCHEMBL13937657 0.75 KDM4E (0.62) FABP3FABP4FABP5HTTALDH1A1

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-2003047575-A1 THERAPEUTIC BENZAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-06-12 WO claimed