SCHEMBL19612282

SCHEMBL19612282

CCCCOc1cccc2c(OCCCC)c(OC)ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
CYP2C9 P11712 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 1/20 0.47
CNR2 P34972 5/20 0.47
CNR1 P21554 3/20 0.47
HPGD P15428 2/20 0.47
LMNA P02545 2/20 0.47
MAPK1 P28482 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPT P10636 1/20 0.47
ATM Q13315 1/20 0.45
HTR1B P28222 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HTR1D P28221 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL19612263 0.94 SMN1; SMN2 (0.53) SMN1; SMN2CYP2C9CYP1A2CNR2CNR1
SCHEMBL12968475 0.87 SMN1; SMN2 (0.52) SMN1; SMN2CYP2C9CYP1A2CYP2C19CNR2
SCHEMBL8560502 0.83 CYP2A6 (0.50) SMN1; SMN2CYP2C9CYP1A2CYP2C19CNR2
SCHEMBL10604202 0.83 CNR1 (0.54) CYP2C9CYP1A2CYP2C19CNR2CNR1
SCHEMBL19612454 0.83 SMN1; SMN2 (0.74) SMN1; SMN2CYP2C9CYP1A2CYP2C19HPGD
SCHEMBL12967983 0.83 CYP2C9 (0.46) SMN1; SMN2CYP2C9CYP1A2CYP2C19CNR2
SCHEMBL16519470 0.83 CYP2C9 (0.60) CYP2C9CYP1A2CYP2C19CNR2CNR1
SCHEMBL11568120 0.83 SMN1; SMN2 (0.80) SMN1; SMN2CYP2C9CYP1A2CYP2C19HPGD
SCHEMBL30503960 0.83 CYP2C9 (0.59) CYP2C9CYP1A2CYP2C19CNR2CNR1
SCHEMBL2924471 0.83 CYP2C9 (0.59) CYP2C9CYP1A2CYP2C19CNR2CNR1

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
US-20170336728-A1 ULTRAVIOLET CURABLE LIQUID COMPOSITION, ULTRAVIOLET CURING INKJET INK, ULTRAVIOLET CURING WET ELECTROPHOTOGRAPHIC LIQUID DEVELOPER, ULTRAVIOLET CURING ELECTROSTATIC INKJET INK, AND IMAGE FORMING METHOD USING THEREOF CANON KABUSHIKI KAISHA (JP) 2017-11-23 US disclosed