SCHEMBL8024756

SCHEMBL8024756

CCCCCCCCC(c1ccccc1)S(=O)(=O)[O-].CCCCCCCCC(c1ccccc1)S(=O)(=O)[O-].CCCCCCCCC(c1ccccc1)S(=O)(=O)[O-].CCCCCCCCC(c1ccccc1)S(=O)(=O)[O-].CCCCCCCCC(c1ccccc1)S(=O)(=O)[O-].CCCCCCCCC(c1ccccc1)S(=O)(=O)[O-].[Mo+6]

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.47
HTR2A P28223 1/20 0.42
CSNK1E P49674 1/20 0.41
NAAA Q02083 2/20 0.40
CTRC Q99895 1/20 0.40
TP53 P04637 1/20 0.40
ASAH1 Q13510 2/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CA2 P00918 1/20 0.38
ACER2 Q5QJU3 1/20 0.38

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
SCHEMBL9458857 0.97 NR1I2 (0.47) NR1I2HTR2ACSNK1ENAAACTRC
SCHEMBL11518709 0.97 NR1I2 (0.50) NR1I2HTR2ACSNK1ENAAACTRC
SCHEMBL4773215 0.97 NR1I2 (0.50) NR1I2HTR2ACSNK1ENAAACTRC
SCHEMBL11091808 0.97 NR1I2 (0.50) NR1I2HTR2ACSNK1ENAAACTRC
SCHEMBL4004094 0.97 NR1I2 (0.47) NR1I2HTR2ACSNK1ENAAACTRC
SCHEMBL8014431 0.97 NR1I2 (0.47) NR1I2HTR2ACSNK1ENAAACTRC
Potassium Ion SCHEMBL10982840 0.97 NR1I2 (0.47) NR1I2HTR2ACSNK1ENAAACTRC
SCHEMBL8024763 0.97 NR1I2 (0.47) NR1I2HTR2ACSNK1ENAAACTRC
SCHEMBL8030244 0.97 NR1I2 (0.47) NR1I2HTR2ACSNK1ENAAACTRC
SCHEMBL194471 0.97 NR1I2 (0.50) NR1I2HTR2ACSNK1ENAAACTRC

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-0546284-B1 Improved process for the production of mesophase pitch CONOCO INC (US) 2000-03-01 EP disclosed
EP-0546284-A1 Improved process for the production of mesophase pitch CONOCO INC. (US) 1993-06-16 EP disclosed
US-5198101-A For carbon fiber manufacture CONOCO INC. (US) 1993-03-30 US disclosed