SCHEMBL7784196

SCHEMBL7784196

C=CCc1ccccc1C(CC=C)(c1ccccc1)S(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.40
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ELANE P08246 1/20 0.30
MAPT P10636 1/20 0.30
PTPN1 P18031 1/20 0.30

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
SCHEMBL7784198 0.80 ALDH1A1 (0.44) ALDH1A1TSHRHTTKMT2AMEN1
SCHEMBL28564856 0.71 ALDH1A1 (0.41) ALDH1A1TSHRHTTKMT2AMEN1
SCHEMBL11056233 0.71 GABRA1 (0.41) ALDH1A1TSHRHTTGABRA1GABRB2
SCHEMBL9471419 0.71 GABRA1 (0.41) ALDH1A1TSHRHTTKMT2AMEN1
SCHEMBL28899369 0.71 GABRA1 (0.43) ALDH1A1TSHRHTTKMT2AMEN1
SCHEMBL7786062 0.71 TSHR (0.53) ALDH1A1TSHRHTTKMT2AMEN1
SCHEMBL9295957 0.69 ALDH1A1 (0.43) ALDH1A1TSHRHTTKMT2AMEN1
SCHEMBL1083367 0.69 TSHR (0.51) ALDH1A1TSHRHTTKMT2AMEN1
SCHEMBL10939749 0.69 TSHR (0.38) ALDH1A1TSHRHTTKMT2ASMN1; SMN2
SCHEMBL8335422 0.68 TSHR (0.50) ALDH1A1TSHRHTTKMT2AMEN1

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