SCHEMBL19612332

SCHEMBL19612332

CC(C)Oc1c(Cl)cc2ccccc2c1OC(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ATM Q13315 2/20 0.40
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPBWR1 P48145 2/20 0.38
ERN1 O75460 1/20 0.37
BTK Q06187 1/20 0.37
CYP2A6 P11509 2/20 0.36
TLR8 Q9NR97 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 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
SCHEMBL10553536 0.83 TLR8 (0.44) MAPTL3MBTL1ATMCYP1A2CYP2C9
SCHEMBL19612509 0.80 CYP1A2 (0.42) MAPTATMCYP1A2CYP2C9CYP2C19
SCHEMBL19612347 0.79 ALDH1A1 (0.48) MAPTCYP1A2CYP2C19ERN1CYP2A6
SCHEMBL19612184 0.79 NQO1 (0.46) MAPTCYP1A2CYP2C9CYP2C19ERN1
SCHEMBL19612510 0.75 CSNK2A1 (0.40) MAPTL3MBTL1ATMCYP1A2CYP2C9
SCHEMBL9192346 0.75 NQO1 (0.48) MAPTATMCYP1A2CYP2C9CYP2C19
SCHEMBL19612419 0.73 IRAK4 (0.41) MAPTATMCYP1A2CYP2C9CYP2C19
SCHEMBL23271811 0.72 CYP2A6 (0.42) MAPTCYP1A2CYP2C9CYP2C19BTK
SCHEMBL19612201 0.71 L3MBTL1 (0.40) MAPTL3MBTL1ATMCYP1A2CYP2C9
SCHEMBL16812860 0.71 CYP1A2 (0.41) MAPTCYP1A2CYP2C9CYP2C19BTK

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