SCHEMBL7787186

SCHEMBL7787186

CCCCCCC(CCCC)Cc1cc(S(=O)(=O)O)ccc1S(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 1/20 0.41
NR1I2 O75469 1/20 0.37
SERPINE1 P05121 1/20 0.36
CA2 P00918 6/20 0.36
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MMP9 P14780 2/20 0.34
MMP13 P45452 2/20 0.34
ADAM17 P78536 2/20 0.34
MMP1 P03956 2/20 0.34
CA1 P00915 3/20 0.34
CA7 P43166 2/20 0.34
CA14 Q9ULX7 1/20 0.34
LMNA P02545 2/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
TP53 P04637 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33

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
SCHEMBL7786035 0.99 S1PR3 (0.42) S1PR3NR1I2SERPINE1CA2ALDH1A1
SCHEMBL7783770 0.91 ALDH1A1 (0.39) S1PR3CA2ALDH1A1NPSR1CA1
SCHEMBL852741 0.85 POLB (0.38) S1PR3NR1I2CA2ALDH1A1LMNA
SCHEMBL28738383 0.85 POLB (0.38) S1PR3NR1I2CA2ALDH1A1LMNA
SCHEMBL7784189 0.82 PRSS1 (0.41) S1PR3CA2ALDH1A1LMNATP53
SCHEMBL7787259 0.81 LMNA (0.35) S1PR3NR1I2CA2ALDH1A1MMP9
SCHEMBL28066993 0.81 PRSS1 (0.42) S1PR3CA2ALDH1A1MMP9LMNA
SCHEMBL7779144 0.81 PRSS1 (0.42) S1PR3CA2ALDH1A1MMP9LMNA
SCHEMBL7787174 0.80 S1PR3 (0.47) S1PR3SERPINE1CA2ALDH1A1CA1
SCHEMBL8954900 0.80 S1PR3 (0.47) S1PR3SERPINE1CA2ALDH1A1CA1

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