SCHEMBL15345877

SCHEMBL15345877

CCCC[n+]1ccc(C(CCCP(c2ccccc2)c2ccccc2)S(=O)(=O)[O-])cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.34
EIF4H Q15056 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
HTT P42858 2/20 0.34
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FDFT1 P37268 1/20 0.32
ABCB11 O95342 1/20 0.31
ESR1 P03372 1/20 0.31
PGR P06401 1/20 0.31
CHRM2 P08172 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD1 P21728 1/20 0.31
TBXA2R P21731 1/20 0.31
ACHE P22303 1/20 0.31
PTGS1 P23219 1/20 0.31

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
SCHEMBL15345874 0.91 MAOA (0.32) PABPC1EIF4HCTDSP1FDFT1
SCHEMBL1114122 0.77 PABPC1 (0.48) PABPC1EIF4HCTDSP1HTTALDH1A1
SCHEMBL8025010 0.74 POLB (0.42) ALDH1A1FDFT1
SCHEMBL15345891 0.73
Potassium Ion SCHEMBL10982840 0.71 NR1I2 (0.47) ALDH1A1FDFT1
SCHEMBL4004094 0.71 NR1I2 (0.47) ALDH1A1OPRM1
SCHEMBL8030244 0.71 NR1I2 (0.47) ALDH1A1OPRM1
SCHEMBL8014431 0.71 NR1I2 (0.47) ALDH1A1OPRM1
SCHEMBL11518709 0.71 NR1I2 (0.50) ALDH1A1OPRM1
SCHEMBL8024763 0.71 NR1I2 (0.47) ALDH1A1OPRM1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2279192-B1 IONIC LIQUIDS MERCK PATENT GMBH (DE) 2013-10-30 EP claimed