SCHEMBL7787204

SCHEMBL7787204

CCCCCCCCCCc1c(CCCCCCCCCC)c(CCCCCCCCCC)c(S(=O)(=O)O)c(S(=O)(=O)O)c1CCCCCCCCCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
S1PR2 O95136 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
TYMP P19971 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
THRB P10828 1/20 0.37
PPARA Q07869 2/20 0.36
GPR35 Q9HC97 1/20 0.36
SCD O00767 1/20 0.36
ALOX5 P09917 8/20 0.36
MPEG1 Q2M385 6/20 0.36
XIAP P98170 2/20 0.36
GPR84 Q9NQS5 2/20 0.36
CYP19A1 P11511 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 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
SCHEMBL11508706 0.98 CYP19A1 (0.37) CA1CA2S1PR2S1PR1S1PR3
SCHEMBL149531 0.96 S1PR2 (0.41) S1PR2S1PR1S1PR3ALDH1A1MAPT
SCHEMBL29666515 0.96 S1PR2 (0.41) S1PR2S1PR1S1PR3ALDH1A1MAPT
SCHEMBL28412851 0.94 S1PR2 (0.40) S1PR2S1PR1S1PR3ALDH1A1MAPT
Ammonia Solution, Strong SCHEMBL11582308 0.94 S1PR2 (0.40) S1PR2S1PR1S1PR3ALDH1A1MAPT
SCHEMBL28614022 0.94 S1PR2 (0.40) S1PR2S1PR1S1PR3ALDH1A1MAPT
SCHEMBL29666514 0.94 S1PR2 (0.40) S1PR2S1PR1S1PR3ALDH1A1MAPT
SCHEMBL11508708 0.91 CA2 (0.41) CA1CA2S1PR2S1PR1S1PR3
SCHEMBL7784215 0.91 CA1 (0.33) CA1CA2S1PR2S1PR1S1PR3
SCHEMBL19137814 0.89 CA1 (0.34) CA1CA2S1PR2S1PR1S1PR3

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
EP-0803548-B1 Colored thermoplastic resin composition ORIENT CHEMICAL IND (JP) 2001-10-24 EP disclosed
US-5827911-A BLACK DYE IS OBTAINED BY REACTION OF NIGROSINE AND ATLEAST ONE ANIONIC SURFACTANT SELECTED FROM SULFURIC ACID ESTER OR SALTS, PHSOPHORIC ACID ESTER OR SALTS, SULFONIC ACID OR SALTS AND CARBOXYLIC ACID OR SALTS ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-27 US disclosed
EP-0803548-A2 Colored thermoplastic resin composition ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-29 EP disclosed