SCHEMBL19612331

SCHEMBL19612331

CC(C)Oc1cccc2ccc(Oc3ccccc3)c(OC(C)C)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.40
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NTRK1 P04629 1/20 0.38
NTRK3 Q16288 1/20 0.38
NTRK2 Q16620 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
IRAK4 Q9NWZ3 2/20 0.36
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TSPO P30536 1/20 0.34
TLR8 Q9NR97 1/20 0.34
RIPK1 Q13546 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL19612344 0.82 NPSR1 (0.43) NTRK1NTRK3NTRK2NPSR1IRAK4
SCHEMBL19612329 0.81 MCHR1 (0.44) MCHR1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL19612403 0.78 NTRK1 (0.39) CYP1A2MAPTCYP2C9CYP2C19NTRK1
SCHEMBL19612374 0.77 ALDH1A1 (0.47) MAPTMEN1KMT2ARIPK1L3MBTL1
SCHEMBL19612270 0.76 MCHR1 (0.45) MCHR1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL19612342 0.76 NPSR1 (0.45) MCHR1MAPTNTRK1NTRK3NTRK2
SCHEMBL19612422 0.75 MCHR1 (0.44) MCHR1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL24926216 0.75 ALDH1A1 (0.50) NTRK1NTRK3NTRK2NPSR1IRAK4
SCHEMBL19612251 0.73 LTA4H (0.45) MAPTNTRK1NTRK3NTRK2POLB
SCHEMBL19612334 0.72 MCL1 (0.41) CYP1A2MAPTCYP2C9CYP2C19NTRK1

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