SCHEMBL9417035

SCHEMBL9417035

CC(=Cc1cc(CN2CCOCC2)cc(C)c1O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
CYP2C9 P11712 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 2/20 0.43
GAA P10253 2/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
CYP2A13 Q16696 1/20 0.42
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 2/20 0.41
GALR3 O60755 1/20 0.41
NOS1 P29475 2/20 0.40
NOS3 P29474 1/20 0.40
NOS2 P35228 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL9416952 0.92 LMNA (0.40) MAPTHTTGAATSHRALDH1A1
SCHEMBL9417032 0.80 CYP2A13 (0.48) MAPTCYP2C9CYP3A4CYP2D6CYP2C19
SCHEMBL9417037 0.80 MAPT (0.44) MAPTCYP2C9CYP3A4CYP2D6CYP2C19
SCHEMBL9417113 0.79 ALOX5 (0.35)
SCHEMBL18161774 0.78 MAPT (0.52) MAPTCYP2C9GAACYP2A13ALDH1A1
SCHEMBL16119871 0.78 MAPT (0.52) MAPTCYP2C9CYP3A4CYP2D6CYP2C19
SCHEMBL16119872 0.78 MAPT (0.52) MAPTCYP2C9CYP3A4CYP2D6CYP2C19
SCHEMBL28326950 0.77 MAPT (0.64) MAPTCYP2C9CYP3A4CYP2D6CYP2C19
SCHEMBL9417080 0.75 PTGS2 (0.38) MAPTGAAKDM4ENPC1
SCHEMBL9417069 0.74 KDM4E (0.43) MAPTGAATSHRALDH1A1KDM4E

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-5358652-A Using 3,5-dihydrocarbyl-4-hydroxybenzylamine compound ETHYL PETROLEUM ADDITIVES, LIMITED (GB) 1994-10-25 US disclosed