SCHEMBL8570848

SCHEMBL8570848

CC=CCc1cc(S(=O)(=O)c2ccc(O)cc2)ccc1O

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.59
CA2 P00918 10/20 0.45
GAA P10253 3/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
RAPGEF4 Q8WZA2 1/20 0.40
ALDH1A1 P00352 1/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
ELANE P08246 1/20 0.37

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
SCHEMBL3342564 0.82 POLB (0.88) POLBCA2GAAMAPTPKM
SCHEMBL8496819 0.81 POLB (0.56) POLBCA2GAAMAPTPKM
SCHEMBL29215803 0.80 POLB (0.46) POLBCA2GAAMAPTPKM
SCHEMBL14283741 0.79 EGFR (0.43) ALDH1A1PTGS1PTGS2
SCHEMBL9742172 0.79 EGFR (0.43) ALDH1A1PTGS1PTGS2
SCHEMBL9742175 0.79 EGFR (0.43) ALDH1A1PTGS1PTGS2
SCHEMBL12222502 0.76 POLB (0.54) POLBCA2GAAMAPTPKM
SCHEMBL8493258 0.75 TYR (0.50) POLBCA2GAAMAPTPKM
SCHEMBL3403169 0.74 POLB (1.00) POLBCA2GAAMAPTALDH1A1
SCHEMBL29420401 0.74 POLB (1.00) POLBCA2GAAMAPTALDH1A1

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
US-5801288-A Diphenyl sulfone derivative and recording material prepared therefrom NIPPON SODA CO., LTD. (JP) 1998-09-01 US disclosed