SCHEMBL7779131

SCHEMBL7779131

CCCCC(CC)Cc1c(S(=O)(=O)O)c(S(=O)(=O)O)c(S(=O)(=O)O)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
CA2 P00918 2/20 0.40
CYP3A4 P08684 1/20 0.40
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
RECQL P46063 1/20 0.33
MAPK1 P28482 1/20 0.33
MAP4K1 Q92918 1/20 0.32
TACR3 P29371 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32

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
SCHEMBL7787209 0.91 PRSS1 (0.38) ALDH1A1CA2CYP3A4LMNAKDM4E
SCHEMBL7784209 0.90 PRSS1 (0.39) ALDH1A1LMNAKDM4EL3MBTL1PRSS1
SCHEMBL30395252 0.80 ALDH1A1 (0.45) ALDH1A1CA2CYP3A4LMNAKDM4E
SCHEMBL5176349 0.79 CYP2D6 (0.37) ALDH1A1CA2CYP3A4LMNAKDM4E
SCHEMBL7779278 0.79 CYP2D6 (0.39) ALDH1A1CA2CYP3A4LMNAKDM4E
SCHEMBL2521780 0.78 CYP2D6 (0.35) ALDH1A1KDM4ETSHRHTTSLC2A1
SCHEMBL7787184 0.77 SLC2A1 (0.41) ALDH1A1CA2CYP3A4LMNAKDM4E
SCHEMBL7784211 0.76 KDM4E (0.45) ALDH1A1KDM4ETACR3SLC2A1
SCHEMBL7786013 0.76 KDM4E (0.45) ALDH1A1KDM4ETACR3SLC2A1
SCHEMBL7786026 0.76 KDM4E (0.45) ALDH1A1KDM4ETACR3SLC2A1

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