SCHEMBL9101581

SCHEMBL9101581

Cc1ccc(S(=O)(=O)O)cc1C(C)C(C)c1cc(S(=O)(=O)O)ccc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
ALDH1A1 P00352 9/20 0.40
HSD17B10 Q99714 4/20 0.40
SNCA P37840 1/20 0.40
LMNA P02545 5/20 0.39
TDP1 Q9NUW8 3/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 4/20 0.38
NT5E P21589 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
FABP3 P05413 1/20 0.36
FABP4 P15090 1/20 0.36
FABP5 Q01469 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36

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
SCHEMBL15229567 0.90 HTT (0.40) HTTALDH1A1HSD17B10SNCALMNA
SCHEMBL17417188 0.89 HTT (0.54) HTTALDH1A1HSD17B10SNCALMNA
SCHEMBL1225025 0.87 HTT (0.38) HTTALDH1A1HSD17B10SNCALMNA
SCHEMBL4026469 0.85 HTT (0.41) HTTALDH1A1HSD17B10SNCALMNA
SCHEMBL775990 0.85 HTT (0.41) HTTALDH1A1HSD17B10SNCALMNA
SCHEMBL776507 0.83 HTT (0.39) HTTALDH1A1HSD17B10SNCALMNA
SCHEMBL29029868 0.83 LMNA (0.41) HTTALDH1A1HSD17B10SNCALMNA
SCHEMBL2058168 0.82 HTT (0.40) HTTALDH1A1HSD17B10SNCALMNA
SCHEMBL9615906 0.82 HTT (0.43) HTTALDH1A1HSD17B10SNCALMNA
SCHEMBL9614139 0.81 HTT (0.42) HTTALDH1A1HSD17B10SNCALMNA

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
US-5489501-A MIXTURES OF TWO COORDINATION COMPOUNDS WHICH REACT TO FORM NEW COORDINATION COMPOUND WHILE CAUSING VISIBLE COLOR CHANGES RICOH COMPANY, LTD. (JP) 1996-02-06 US disclosed
US-5446011-A Imagewise coloring when heating; mixture of n-substituted indole, aromatic polyhydroxy compound, carbonyl compound and an acid RICOH COMPANY, LTD. (JP) 1995-08-29 US disclosed