SCHEMBL10449130

SCHEMBL10449130

CN(C)c1ccc(-c2[c]ccc(CO)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.46
ALDH1A1 P00352 5/20 0.37
TSHR P16473 2/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
BAZ2B Q9UIF8 1/20 0.35
BAZ2A Q9UIF9 1/20 0.35
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
AOC3 Q16853 1/20 0.33
NOTUM Q6P988 1/20 0.33
FYN P06241 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
TP53 P04637 1/20 0.32

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
SCHEMBL8064164 0.79 ALDH1A1 (0.44) APPALDH1A1TSHRCYP3A4MAPK1
SCHEMBL5925342 0.78 APP (0.46) APPALDH1A1TSHRALOX15HSD17B10
SCHEMBL5496841 0.78 TSHR (0.43) TSHRNOTUMFYN
SCHEMBL16720012 0.75 PRKCI (0.51) CYP3A4MAPTFYN
SCHEMBL9739215 0.75 APP (0.41) APPALDH1A1TSHRCYP3A4MAPK1
SCHEMBL7479982 0.74 ALDH1A1 (0.40) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL8063028 0.72 APP (0.49) APPALDH1A1TSHRCYP3A4ALOX15
SCHEMBL8563667 0.72 FYN (0.45) ALDH1A1MAPK1HSD17B10SMN1; SMN2FYN
SCHEMBL7326388 0.71 AOC3 (0.58) APPAOC3FYNHDAC6
SCHEMBL3240177 0.71 NOS1 (0.41) ALDH1A1CYP3A4TDP1MAPTKDM4E

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
EP-0363223-A2 3-Aryloxymethyl-cephalosporin derivatives, their preparation and their medical use Sankyo Company Limited (JP) 1990-04-11 EP disclosed