SCHEMBL7750896

SCHEMBL7750896

CCCCCCCCCCCCC(c1ccccc1)S(=O)(=O)[O-].c1ccc([I+]c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.42
CTRC Q99895 1/20 0.37
NAAA Q02083 2/20 0.36
HTR2A P28223 1/20 0.35
ASAH1 Q13510 2/20 0.35
ALDH1A1 P00352 2/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
CSNK1E P49674 1/20 0.34
ACER2 Q5QJU3 1/20 0.34
MMP13 P45452 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 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
SCHEMBL194471 0.90 NR1I2 (0.50) NR1I2CTRCNAAAHTR2AASAH1
SCHEMBL9458857 0.90 NR1I2 (0.47) NR1I2CTRCNAAAHTR2AASAH1
SCHEMBL8024763 0.90 NR1I2 (0.47) NR1I2CTRCNAAAHTR2AASAH1
SCHEMBL8014431 0.90 NR1I2 (0.47) NR1I2CTRCNAAAHTR2AASAH1
SCHEMBL8030244 0.90 NR1I2 (0.47) NR1I2CTRCNAAAHTR2AASAH1
SCHEMBL4773215 0.90 NR1I2 (0.50) NR1I2CTRCNAAAHTR2AASAH1
SCHEMBL4004094 0.90 NR1I2 (0.47) NR1I2CTRCNAAAHTR2AASAH1
SCHEMBL11518709 0.90 NR1I2 (0.50) NR1I2CTRCNAAAHTR2AASAH1
Potassium Ion SCHEMBL10982840 0.90 NR1I2 (0.47) NR1I2CTRCNAAAHTR2AASAH1
SCHEMBL11091808 0.90 NR1I2 (0.50) NR1I2CTRCNAAAHTR2AASAH1

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-0793144-B1 Radiation sensitive composition JAPAN SYNTHETIC RUBBER CO LTD (JP) 2001-01-17 EP disclosed
US-5962180-A COMPRISING (A) A COPOLYMER COMPRISING RECURRING UNITS OF A P-HYDROXYSTYRENE UNIT AND A STYRENE UNIT HAVING AN ACETAL GROUP OR A KETAL GROUP AT THE P-POSITION, (B) A COPOLYMER COMPRISING RECURRING UNITS OF A T-BUTYL (METH)ACRYLATE UNIT JSR CORPORATION (JP) 1999-10-05 US disclosed
EP-0793144-A2 Radiation sensitive composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1997-09-03 EP disclosed