SCHEMBL7787243

SCHEMBL7787243

CCCCC(CCC)(c1ccccc1)S(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 4/20 0.42
KIF11 P52732 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP2D6 P10635 2/20 0.39
MAPK1 P28482 1/20 0.39
ESR1 P03372 3/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
NR1I2 O75469 1/20 0.36
NR1H2 P55055 1/20 0.36
NAAA Q02083 1/20 0.36
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
CYP2C19 P33261 1/20 0.35
SCN1A P35498 1/20 0.35
MTOR P42345 1/20 0.35

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
SCHEMBL7783811 0.93 SCN5A (0.42) ESR2TDP1CYP2D6MAPK1CA12
SCHEMBL7787235 0.93 SCN5A (0.42) ESR2TDP1CYP2D6MAPK1CA12
SCHEMBL28132484 0.93 ESR2 (0.42) ESR2KIF11TDP1CYP2D6MAPK1
SCHEMBL7784178 0.92 SCN5A (0.43) ESR2TDP1CYP2D6MAPK1CA12
SCHEMBL7786015 0.92 SCN5A (0.43) ESR2TDP1CYP2D6MAPK1CA12
SCHEMBL11795464 0.92 SCN5A (0.43) ESR2TDP1CYP2D6MAPK1CA12
SCHEMBL7783835 0.92 SCN5A (0.43) ESR2TDP1CYP2D6MAPK1CA12
SCHEMBL3109755 0.90 SCN5A (0.42) ESR2TDP1CYP2D6MAPK1CA12
SCHEMBL7787177 0.85 SCN5A (0.41) ESR2TDP1CA12CA9NAAA
SCHEMBL27970557 0.85 SCN5A (0.41) ESR2TDP1CA12CA9NAAA

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