SCHEMBL8025010

SCHEMBL8025010

CCCCC(c1ccccc1)S(=O)(=O)[O-].CCCCC(c1ccccc1)S(=O)(=O)[O-].[Mn+2]

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
MMP13 P45452 4/20 0.39
NR1I2 O75469 1/20 0.39
MMP1 P03956 3/20 0.38
MMP7 P09237 3/20 0.38
MMP12 P39900 3/20 0.38
ACE P12821 2/20 0.38
FDFT1 P37268 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CNR2 P34972 1/20 0.36

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 0.90 NR1I2 (0.47) POLBMMP13NR1I2ALDH1A1
SCHEMBL4773215 0.90 NR1I2 (0.50) MMP13NR1I2ALDH1A1
SCHEMBL11518709 0.90 NR1I2 (0.50) MMP13NR1I2ALDH1A1
SCHEMBL4004094 0.90 NR1I2 (0.47) POLBMMP13NR1I2ALDH1A1
SCHEMBL8024763 0.90 NR1I2 (0.47) POLBMMP13NR1I2ALDH1A1
SCHEMBL8014431 0.90 NR1I2 (0.47) POLBMMP13NR1I2ALDH1A1
SCHEMBL8030244 0.90 NR1I2 (0.47) POLBMMP13NR1I2ALDH1A1
SCHEMBL11519233 0.90 NR1I2 (0.50) MMP13NR1I2ALDH1A1
Potassium Ion SCHEMBL10982840 0.90 NR1I2 (0.47) NR1I2FDFT1ALDH1A1
SCHEMBL194471 0.90 NR1I2 (0.50) MMP13NR1I2ALDH1A1

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