SCHEMBL9311752

SCHEMBL9311752

Nc1cc(S(=O)(=O)c2cccc(S(=O)(=O)O)c2)ccc1O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.77
▸ HSD17B10 Q99714 4/20 0.77
▸ GAA P10253 3/20 0.73
▸ MAPT P10636 2/20 0.73
▸ CA2 P00918 3/20 0.58
▸ CA1 P00915 2/20 0.58
▸ CA12 O43570 1/20 0.58
▸ CA9 Q16790 1/20 0.58
▸ TSHR P16473 2/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ NT5E P21589 3/20 0.47
▸ LMNA P02545 1/20 0.47
▸ CASP6 P55212 3/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ PKLR P30613 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ PKM P14618 2/20 0.43
▸ MEN1 O00255 1/20 0.43

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
SCHEMBL156846 0.88 ALDH1A1 (1.00) ALDH1A1HSD17B10GAAMAPTCA2
SCHEMBL29939025 0.88 ALDH1A1 (1.00) ALDH1A1HSD17B10GAAMAPTCA2
SCHEMBL564676 0.86 GAA (0.79) ALDH1A1HSD17B10GAAMAPTCA2
Water SCHEMBL3040629 0.86 ALDH1A1 (0.96) ALDH1A1HSD17B10GAAMAPTCA2
SCHEMBL28209009 0.86 ALDH1A1 (0.96) ALDH1A1HSD17B10GAAMAPTCA2
SCHEMBL1732796 0.86 GAA (1.00) ALDH1A1HSD17B10GAAMAPTCA2
SCHEMBL29363328 0.86 GAA (1.00) ALDH1A1HSD17B10GAAMAPTCA2
SCHEMBL109925 0.86 GAA (1.00) ALDH1A1HSD17B10GAAMAPTCA2
SCHEMBL29871288 0.86 GAA (1.00) ALDH1A1HSD17B10GAAMAPTCA2
SCHEMBL565327 0.85 GAA (0.76) ALDH1A1HSD17B10GAAMAPTCA2

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-5356443-A Treating fiber before fixation step with sterically hindered phenol and sulfo containing compound CIBA-GEIGY CORPORATION (US) 1994-10-18 — — US disclosed
US-5181935-A THERMAL AND PHOTOCHEMICAL STABILIZATION OF DYEINGS ON POLYAMIDE FIBERS:STERICALLY HINDERED PHENOL AND ULTRA-VIOLET ABSORBER CIBA-GEIGY CORPORATION (US) 1993-01-26 — — US disclosed
US-5096456-A Exhaust or continuous dyeing; carpets automotive fabrics, brassiers CIBA-GEIGY CORPORATION (US) 1992-03-17 — — US disclosed
Send feedback