SCHEMBL31437029

SCHEMBL31437029

Nc1ccc(O)c2ccc(S(=O)(=O)O)cc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.65
HSD17B10 Q99714 5/20 0.65
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
CASP6 P55212 3/20 0.53
NSD2 O96028 2/20 0.50
DUSP3 P51452 1/20 0.50
PTPN5 P54829 1/20 0.50
PTPN11 Q06124 1/20 0.50
PHLPP2 Q6ZVD8 1/20 0.49
GAA P10253 3/20 0.47
MAPT P10636 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
HDAC3 O15379 1/20 0.47
IDO1 P14902 1/20 0.47
EP300 Q09472 1/20 0.47
KAT2B Q92831 1/20 0.47

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
SCHEMBL5804655 1.00 ALDH1A1 (0.65) ALDH1A1HSD17B10CYP2C9CYP2C19CASP6
SCHEMBL11431829 0.93 ALDH1A1 (0.65) ALDH1A1HSD17B10CYP2C9CYP2C19CASP6
SCHEMBL6051371 0.89 ALDH1A1 (0.59) ALDH1A1HSD17B10CYP2C9CYP2C19CASP6
SCHEMBL13321672 0.87 ALDH1A1 (0.59) ALDH1A1HSD17B10CYP2C9CYP2C19CASP6
SCHEMBL31254160 0.87 ALDH1A1 (0.59) ALDH1A1HSD17B10CYP2C9CYP2C19CASP6
SCHEMBL31621937 0.82 ALDH1A1 (0.57) ALDH1A1HSD17B10CYP2C9CYP2C19CASP6
SCHEMBL1809362 0.82 ALDH1A1 (0.57) ALDH1A1HSD17B10CYP2C9CYP2C19CASP6
SCHEMBL9698716 0.81 HSD17B10 (0.50) ALDH1A1HSD17B10CYP2C9CYP2C19CASP6
SCHEMBL1413168 0.81 CASP6 (0.57) ALDH1A1HSD17B10CYP2C9CYP2C19CASP6
SCHEMBL155753 0.81 HSD17B10 (0.53) ALDH1A1HSD17B10CYP2C9CYP2C19CASP6

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
CN-116018381-B Polarizing film, polarizing plate and liquid crystal display device containing azo compound or salt thereof 日本化药株式会社 2025-05-02 CN disclosed