SCHEMBL3036205

SCHEMBL3036205

CCCCCCCCCCCC[N+](C)(C)CCO.O=C(O)CCCCCOON1C(=O)c2ccccc2C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
MLNR O43193 1/20 0.40
NR1I2 O75469 1/20 0.40
ESR1 P03372 1/20 0.40
NR3C1 P04150 1/20 0.40
PGR P06401 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
CHRM3 P20309 1/20 0.40

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
SCHEMBL26480 0.82 PPARG (0.45) MEN1CYP1A2KMT2AALDH1A1CYP3A4
SCHEMBL1532004 0.82 PPARG (0.45) MEN1CYP1A2KMT2AALDH1A1CYP3A4
SCHEMBL1532120 0.81 PPARG (0.46) MEN1CYP1A2KMT2AALDH1A1CYP3A4
Hexanoate SCHEMBL27567437 0.79 AKR1B1 (0.48) MEN1CYP1A2KMT2AESR1ALDH1A1
SCHEMBL16456623 0.78 ASAH1 (0.43) ALDH1A1LMNASMN1; SMN2
SCHEMBL1531985 0.78 PPARG (0.50) MEN1CYP1A2KMT2ASLC6A3ALDH1A1
SCHEMBL4339878 0.76 PPARG (0.40) CYP1A2ALDH1A1CYP3A4MAPK1SMN1; SMN2
SCHEMBL18237024 0.69 GPR84 (0.71) MEN1KMT2AESR1DNM1ALDH1A1
Didecyldimethylammonium SCHEMBL381738 0.69 GPR84 (0.71) MEN1KMT2AESR1DNM1ALDH1A1
SCHEMBL8335621 0.69 GPR84 (0.71) MEN1KMT2AESR1DNM1ALDH1A1

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-1856039-B1 Ionic liquids derived from peracid anions PROCTER & GAMBLE (US) 2014-01-01 EP disclosed
US-7786065-B2 Ionic liquids derived from peracid anions THE PROCTER & GAMBLE COMPANY (US) 2010-08-31 US disclosed
US-20060189499-A1 Ionic liquids derived from peracid anions THE PROCTER & GAMBLE COMPANY 2006-08-24 US disclosed