SCHEMBL7097918

SCHEMBL7097918

CS(=O)(=O)c1ccccc1-c1cc(O)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 4/20 0.46
BAZ2A Q9UIF9 4/20 0.46
BRD9 Q9H8M2 2/20 0.46
GAA P10253 2/20 0.45
POLB P06746 1/20 0.45
GFER P55789 1/20 0.45
MCL1 Q07820 3/20 0.44
ALPL P05186 1/20 0.44
ALPI P09923 1/20 0.44
ALPG P10696 1/20 0.44
DNMT1 P26358 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PTGS1 P23219 1/20 0.41
ESR2 Q92731 2/20 0.39
BCL2 P10415 2/20 0.39
MAOA P21397 2/20 0.38
ENPP2 Q13822 1/20 0.38
ESR1 P03372 1/20 0.38
UGT1A1 P22309 1/20 0.38

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
SCHEMBL2862404 0.86 MCL1 (0.54) GAAPOLBGFERMCL1ALPL
SCHEMBL6801877 0.77 PTGS2 (0.49) BAZ2BBAZ2ABRD9ESR2ENPP2
SCHEMBL18618313 0.76 HSD11B1 (0.48) BAZ2BBAZ2ABRD9GAALMNA
SCHEMBL29588550 0.76 HSD11B1 (0.48) BAZ2BBAZ2ABRD9GAALMNA
SCHEMBL3275593 0.75 PTGS1 (0.61) GAAPOLBGFERMCL1ALPL
SCHEMBL4636219 0.75 ESR2 (0.55) GAAPOLBGFERTDP1L3MBTL1
SCHEMBL6820364 0.74 CA2 (0.50) BAZ2BBAZ2ABRD9HSD11B1ALDH1A1
SCHEMBL27866825 0.72 ALOX5AP (0.54)
SCHEMBL6512541 0.72 PTPRC (0.46) BAZ2BBAZ2ABRD9DNMT1HSD11B1
SCHEMBL1163819 0.72 HPGD (0.49) GAAMCL1ESR2ESR1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1267809-A1 HAIR COLOURING AND CONDITIONING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2003-01-02 EP disclosed
WO-2001076545-A1 HAIR COLOURING AND CONDITIONING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2001-10-18 WO disclosed