SCHEMBL36488

SCHEMBL36488

CCCCOC(=O)CCn1cnc(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP19A1 P11511 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
GAA P10253 1/20 0.45
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 2/20 0.43
LMNA P02545 4/20 0.41
QPCT Q16769 1/20 0.40
MAPT P10636 2/20 0.40
RECQL P46063 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CPB1 P15086 1/20 0.39
CPB2 Q96IY4 1/20 0.39
ALPL P05186 2/20 0.39
PLAA Q9Y263 1/20 0.39
DGKA P23743 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL2962862 0.87 LMNA (0.50) ALDH1A1LMNAQPCTALPLPLAA
SCHEMBL28290762 0.81 ALDH1A1 (0.45) GAAALDH1A1MAPK1LMNAMAPT
SCHEMBL634200 0.75 CYP1A2 (0.45) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL45905 0.74 TBXAS1 (0.54) CYP19A1GAAALDH1A1MAPK1LMNA
SCHEMBL28735791 0.74 GAA (0.49) GAAALDH1A1MAPK1LMNAMAPT
SCHEMBL8591843 0.73 TBXAS1 (0.44) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL17916289 0.73 ALDH1A1 (0.41) CYP19A1GAAALDH1A1MAPK1LMNA
SCHEMBL45904 0.72 ALDH1A1 (0.58) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL40344 0.72 CYP3A4 (0.45) CYP3A4CYP2D6CYP2C9GAAALDH1A1
SCHEMBL8510046 0.70 CNR1 (0.43) CYP1A2CYP2C9CYP2C19GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571908-B1 POLYMERIZABLE IONIC LIQUID COMPOSITIONS 3M INNOVATIVE PROPERTIES CO (US) 2017-04-26 EP disclosed
US-8383721-B2 Polymerizable ionic liquid compositions 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-02-26 US disclosed
CN-102906133-A Polymerizable ionic liquid compositions 3M INNOVATIVE PROPERTIES CO 2013-01-30 CN disclosed
US-20110288227-A1 POLYMERIZABLE IONIC LIQUID COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY 2011-11-24 US disclosed