SCHEMBL7783799

SCHEMBL7783799

CCCCCCCC(CCCCC)COS(=O)(=O)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
CTRC Q99895 1/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 2/20 0.41
CSNK1E P49674 1/20 0.40
CNR2 P34972 2/20 0.40
EPHX2 P34913 1/20 0.38
PKM P14618 1/20 0.38
CETP P11597 3/20 0.38
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
CA2 P00918 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL7783816 0.99 PRSS1 (0.43) PRSS1PRSS2PRSS3CTRCALDH1A1
SCHEMBL7786030 0.89 ALDH1A1 (0.49) PRSS1PRSS2PRSS3ALDH1A1HPGD
SCHEMBL10486338 0.82 KMT2A (0.49) PRSS1PRSS2PRSS3ALDH1A1HPGD
SCHEMBL2230470 0.80 HPGD (0.50) ALDH1A1HPGDKMT2ACNR2EPHX2
SCHEMBL7783839 0.80 HPGD (0.50) ALDH1A1HPGDKMT2ACNR2EPHX2
SCHEMBL3140142 0.80 HPGD (0.50) ALDH1A1HPGDKMT2ACNR2EPHX2
SCHEMBL7787201 0.80 HPGD (0.50) ALDH1A1HPGDKMT2ACNR2EPHX2
SCHEMBL15543392 0.80 HPGD (0.50) ALDH1A1HPGDKMT2ACNR2EPHX2
SCHEMBL7784231 0.80 HPGD (0.50) ALDH1A1HPGDKMT2ACNR2EPHX2
SCHEMBL7784180 0.80 HPGD (0.50) ALDH1A1HPGDKMT2ACNR2EPHX2

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