SCHEMBL10296154

SCHEMBL10296154

C=CC(=O)OCCOC(=O)/C=C/c1ccc(OC(=O)c2cc(N)cc(N)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MET P08581 4/20 0.42
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA4 P22748 3/20 0.42
CA6 P23280 3/20 0.42
CA5A P35218 3/20 0.42
CA7 P43166 3/20 0.42
CA9 Q16790 3/20 0.42
CA14 Q9ULX7 3/20 0.42
CA5B Q9Y2D0 3/20 0.42
LMNA P02545 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
AKR1B10 O60218 3/20 0.40
AKR1B1 P15121 3/20 0.40
MAOB P27338 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
APP P05067 4/20 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
SCHEMBL22354424 0.87 MAPT (0.46) MAPTKDM4EMETCA12CA1
SCHEMBL10007293 0.87 MAPT (0.46) MAPTKDM4EMETCA12CA1
SCHEMBL10296087 0.84 MET (0.45) MAPTKDM4EMETCA12CA1
SCHEMBL12196876 0.84 CA12 (0.55) MAPTKDM4ECA12CA1CA7
SCHEMBL18477585 0.84 THRB (0.48) MAPTMETCA12CA1CA4
SCHEMBL15083727 0.84 MAPT (0.43) MAPTKDM4EMETCA12CA1
SCHEMBL20090794 0.84 CA12 (0.54) METCA12CA1CA4CA6
SCHEMBL12196879 0.83 APP (0.57) MAPTKDM4ELMNASMN1; SMN2APP
SCHEMBL865829 0.83 MAPT (0.42) MAPTKDM4EMETCA12CA1
SCHEMBL865828 0.83 MAPT (0.42) MAPTKDM4EMETCA12CA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172541-A1 Liquid Crystal Alignment Agent, Liquid Crystal Alignment Film Manufactured Using the Same, and Liquid Crystal Display Device Including the Liquid Crystal Alignment Film CHEIL INDUSTRIES INC. (KR) 2012-07-05 US disclosed
US-20120172541-A1 Liquid Crystal Alignment Agent, Liquid Crystal Alignment Film Manufactured Using the Same, and Liquid Crystal Display Device Including the Liquid Crystal Alignment Film CHEIL INDUSTRIES INC. (KR) 2012-07-05 US disclosed