SCHEMBL2853802

SCHEMBL2853802

Cc1ccccc1C(=O)c1cc(O)cc(C)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.53
CYP2C9 P11712 1/20 0.53
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 5/20 0.47
HPGD P15428 3/20 0.47
KDM4E B2RXH2 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPK13 O15264 6/20 0.47
MAPK12 P53778 6/20 0.47
MAPK11 Q15759 6/20 0.47
MAPK14 Q16539 6/20 0.47
ENPP3 O14638 1/20 0.45
ALPL P05186 1/20 0.45
XIAP P98170 1/20 0.45
DHODH Q02127 1/20 0.43
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
PGR P06401 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
AR P10275 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
SCHEMBL28268608 0.86 KMT2A (0.68) CYP3A4CYP2C9KMT2AALDH1A1HPGD
SCHEMBL2861855 0.82 LMNA (0.53) CYP3A4CYP2C9KMT2AALDH1A1HPGD
SCHEMBL29556934 0.81 KMT2A (0.51) CYP3A4CYP2C9KMT2AALDH1A1HPGD
SCHEMBL29387256 0.80 CYP3A4 (0.55) CYP3A4CYP2C9KMT2AALDH1A1HPGD
SCHEMBL333141 0.80 CYP3A4 (0.55) CYP3A4CYP2C9KMT2AALDH1A1HPGD
SCHEMBL10669335 0.78 CYP3A4 (0.59) CYP3A4CYP2C9KMT2AALDH1A1HPGD
SCHEMBL6842050 0.76 ALDH1A1 (0.56) CYP3A4CYP2C9KMT2AALDH1A1HPGD
SCHEMBL5710153 0.75 MEN1 (0.61) CYP3A4KMT2AALDH1A1HPGDMAPK13
SCHEMBL30375472 0.75 MEN1 (0.61) CYP3A4KMT2AALDH1A1HPGDMAPK13
SCHEMBL3358950 0.75 SPR (0.56) CYP3A4CYP2C9KMT2AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7713449-B2 Polymer electrolytic material, polymer electrolytic part, membrane electrode assembly, and polymer electrolyte fuel cell TORAY INDUSTRIES, INC. (JP) 2010-05-11 US disclosed
US-20060180796-A1 Polymer electrolyte material, polymer electrolyte part, membrane electrode composite and polymer electrolyte type fuel cell TORAY INDUSTRIES, INC. (JP) 2006-08-17 US disclosed
EP-1619735-A1 POLYMER ELECTROLYTE MATERIAL, POLYMER ELECTROLYTE PART, MEMBRANE ELECTRODE COMPOSITE AND POLYMER ELECTROLYTE TYPE FUEL CELL TORAY INDUSTRIES, INC. (JP) 2006-01-25 EP disclosed