SCHEMBL19612412

SCHEMBL19612412

CCCCOc1cccc(OCCCC)c1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ CYP1A2 P05177 2/20 0.55
▸ CYP2C9 P11712 2/20 0.55
▸ CYP2C19 P33261 2/20 0.55
▸ MCHR1 Q99705 2/20 0.47
▸ CHRM2 P08172 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ CHRM1 P11229 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ ACHE P22303 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ TDP1 Q9NUW8 2/20 0.43
▸ ALOX5 P09917 1/20 0.43
▸ PTGS2 P35354 1/20 0.43

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
SCHEMBL19612360 0.92 SMN1; SMN2 (0.52) SMN1; SMN2CYP1A2CYP2C9CYP2C19MCHR1
SCHEMBL19612454 0.88 SMN1; SMN2 (0.74) SMN1; SMN2CYP1A2CYP2C9CYP2C19CHRM2
SCHEMBL1238407 0.87 LMNA (0.60) SMN1; SMN2CYP1A2CYP2C9CYP2C19MCHR1
SCHEMBL11568120 0.83 SMN1; SMN2 (0.80) SMN1; SMN2CYP1A2CYP2C9CYP2C19LMNA
SCHEMBL19056885 0.82 CYP1A2 (0.53) SMN1; SMN2CYP1A2CYP2C9CYP2C19MCHR1
SCHEMBL19612354 0.81 SMN1; SMN2 (0.69) SMN1; SMN2CYP1A2MCHR1CHRM2LMNA
1-Methoxy-2-Butoxybenzene SCHEMBL31085542 0.81 L3MBTL1 (0.63) SMN1; SMN2CYP1A2CYP2C9CYP2C19LMNA
1-Methoxy-2-Butoxybenzene SCHEMBL364856 0.81 L3MBTL1 (0.63) SMN1; SMN2CYP1A2CYP2C9CYP2C19LMNA
SCHEMBL8956414 0.81 CNR1 (0.48) SMN1; SMN2MCHR1CHRM2LMNAMAPT
SCHEMBL8956313 0.81 CNR1 (0.48) SMN1; SMN2MCHR1CHRM2LMNAMAPT

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
Send feedback