SCHEMBL7784199

SCHEMBL7784199

CCCCC(CC)Cc1ccc(S(=O)(=O)O)c(S(=O)(=O)O)c1CC(CC)CCCC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.35
CA2 P00918 4/20 0.35
CYP3A4 P08684 4/20 0.35
TSHR P16473 5/20 0.34
GLA P06280 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RECQL P46063 1/20 0.34
LMNA P02545 3/20 0.33
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CA1 P00915 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL7787197 0.91 TP53 (0.33) CA2LMNAPRSS1PRSS2PRSS3
SCHEMBL7783827 0.89 LMNA (0.34) CA2RECQLLMNACA1PRSS1
SCHEMBL7786245 0.89 ALDH1A1 (0.37) ALDH1A1CA2CYP3A4TSHRGLA
SCHEMBL5174990 0.84 ALDH1A1 (0.38) ALDH1A1CA2CYP3A4TSHRGLA
SCHEMBL7783766 0.82 ALDH1A1 (0.39) ALDH1A1CA2CYP3A4TSHRGLA
SCHEMBL5176349 0.80 CYP2D6 (0.37) ALDH1A1CA2CYP3A4TSHRGLA
SCHEMBL7787259 0.80 LMNA (0.35) ALDH1A1CA2CYP3A4RECQLLMNA
SCHEMBL7783848 0.79 ALDH1A1 (0.43) ALDH1A1CA2CYP3A4TSHRGLA
SCHEMBL31186825 0.79 ALDH1A1 (0.43) ALDH1A1CA2CYP3A4TSHRGLA
SCHEMBL3244574 0.78 TSHR (0.36) ALDH1A1CA2CYP3A4TSHRGLA

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