SCHEMBL11079274

SCHEMBL11079274

COC(CNc1cccc(C)c1)OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
HTT P42858 1/20 0.58
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
GAA P10253 2/20 0.41
HSD17B10 Q99714 1/20 0.41
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
LMNA P02545 1/20 0.40
FAAH O00519 1/20 0.39
MAPK1 P28482 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
NFKB1 P19838 1/20 0.39

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
SCHEMBL24307977 0.83 MAPT (0.55) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL31258062 0.81 MAPT (0.62) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2492535 0.81 MAPT (0.62) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14838659 0.79 MAPT (0.64) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8020747 0.79 MAPT (0.50) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL931749 0.79 MAPT (0.56) MAPTHTTALDH1A1HPGDGAA
SCHEMBL14432957 0.77 MAPT (0.69) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL11743312 0.76 MAPT (0.60) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6877207 0.75 MAPT (0.58) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL11310425 0.75 MAPT (0.58) MAPTCYP1A2CYP3A4CYP2D6CYP2C9

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-4441915-A POSTEMERGENCE SCHERING AKTIENGESELLSCHAFT (DE) 1984-04-10 US disclosed