SCHEMBL7779278

SCHEMBL7779278

CCCCC(CC)Cc1cc2ccccc2c(S(=O)(=O)O)c1S(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.39
ALDH1A1 P00352 3/20 0.38
CA2 P00918 1/20 0.38
CYP3A4 P08684 1/20 0.38
TACR3 P29371 2/20 0.37
GPR84 Q9NQS5 1/20 0.36
LMNA P02545 1/20 0.35
TSHR P16473 3/20 0.34
KDM4E B2RXH2 2/20 0.34
GLA P06280 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
SLC2A1 P11166 1/20 0.34
NR3C1 P04150 1/20 0.34
PGR P06401 1/20 0.34
NR3C2 P08235 1/20 0.34
MMP1 P03956 1/20 0.34

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
SCHEMBL7787165 0.92 CYP2D6 (0.38) CYP2D6TACR3GPR84KDM4EL3MBTL1
SCHEMBL5176349 0.91 CYP2D6 (0.37) CYP2D6ALDH1A1CA2CYP3A4TACR3
SCHEMBL7779122 0.90 CYP2D6 (0.39) CYP2D6TACR3GPR84KDM4EL3MBTL1
SCHEMBL7787184 0.86 SLC2A1 (0.41) CYP2D6ALDH1A1CA2CYP3A4TACR3
SCHEMBL7786126 0.86 PRSS1 (0.39) CYP2D6ALDH1A1CA2CYP3A4TACR3
SCHEMBL8006931 0.82 LMNA (0.38) CYP2D6ALDH1A1CA2CYP3A4TACR3
SCHEMBL149653 0.80 CYP2D6 (0.44) CYP2D6GPR84L3MBTL1SLC2A1MAPT
SCHEMBL2521799 0.79 MAPT (0.45) CYP2D6ALDH1A1CYP3A4GPR84KDM4E
SCHEMBL7786245 0.79 ALDH1A1 (0.37) ALDH1A1CA2CYP3A4LMNATSHR
SCHEMBL7779131 0.79 ALDH1A1 (0.40) ALDH1A1CA2CYP3A4TACR3LMNA

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