SCHEMBL5144776

SCHEMBL5144776

COc1ccc(C(O)(O)C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.52
CA2 P00918 6/20 0.52
MAPT P10636 1/20 0.49
CES2 O00748 2/20 0.48
CES1 P23141 2/20 0.48
ALOX15 P16050 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
APEX1 P27695 1/20 0.47
MAPK1 P28482 1/20 0.47
RECQL P46063 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PLK1 P53350 1/20 0.47
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
GSK3B P49841 1/20 0.46
PARP1 P09874 1/20 0.45

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
SCHEMBL27746898 0.83 MAPT (0.49) CA1CA2MAPTCES2CES1
SCHEMBL4232572 0.83 CA1 (0.52) CA1CA2MAPTCES2CES1
SCHEMBL2795435 0.83 CYP2C9 (0.55) CA1CA2MAPTCES2CES1
SCHEMBL2327512 0.83 CA1 (0.52) CA1CA2MAPTCES2CES1
SCHEMBL6404526 0.82 MAPT (0.51) CA1CA2MAPTCES2CES1
SCHEMBL1371089 0.82 MAPT (0.51) CA1CA2MAPTCES2CES1
SCHEMBL1507665 0.81 CA1 (0.54) CA1CA2MAPTCES2CES1
Bromomethane SCHEMBL3169542 0.80 CYP2C9 (0.52) CA1CA2MAPTCES2CES1
SCHEMBL1939457 0.79 AKR1C3 (0.54) CA1CA2MAPTCES2CES1
SCHEMBL7358417 0.79 MAPT (0.53) CA1CA2MAPTCES2CES1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0273202-A2 Use of hydroxycarboxylic acids to enhance therapeutic effects of topical compositions for fungal infections and pigmented spots. Van Scott, Eugene J., Dr. (US) 1988-07-06 EP claimed
EP-1633368-A4 FOAMABLE PHARMACEUTICAL COMPOSITIONS AND METHODS FOR TREATING A DISORDER STIEFEL LABORATORIES (US) 2007-03-14 EP disclosed
EP-1633368-A2 FOAMABLE PHARMACEUTICAL COMPOSITIONS AND METHODS FOR TREATING A DISORDER STIEFEL LABORATORIES, INC. (US) 2006-03-15 EP disclosed
CN-1182835-C Towelette product 2005-01-05 CN disclosed
WO-2004105702-A2 FOAMABLE PHARMACEUTICAL COMPOSITIONS AND METHODS FOR TREATING A DISORDER STIEFEL LABORATORIES, INC. (US) 2004-12-09 WO disclosed
CN-1378442-A Towlette product UNILEVER NV (NL) 2002-11-06 CN disclosed