SCHEMBL9065504

SCHEMBL9065504

C=CCOc1ccc(-c2ccc(-c3ccc(OCC=C)cc3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.57
CA1 P00915 5/20 0.57
CA9 Q16790 5/20 0.57
CA2 P00918 1/20 0.57
CA7 P43166 1/20 0.57
MAPT P10636 4/20 0.53
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPK1 P28482 1/20 0.53
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP2D6 P10635 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46

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
SCHEMBL472165 1.00 CA12 (0.57) CA12CA1CA9CA2CA7
1,4-Diallyloxybenzene SCHEMBL302448 0.92 CA12 (0.63) CA12CA1CA9CA2CA7
SCHEMBL472119 0.91 BACE1 (0.51) CA12CA1CA9CA2CA7
SCHEMBL12168701 0.89 NPC1 (0.49) CA12CA1CA9CA2CA7
SCHEMBL19880405 0.89 ALDH1A1 (0.52) CA12CA1CA9CA2CA7
SCHEMBL3421079 0.89 GAA (0.55) CA12CA1CA9CA2CA7
SCHEMBL19392375 0.89 CA12 (0.49) CA12CA1CA9CA2CA7
SCHEMBL10491975 0.89 CA12 (0.49) CA12CA1CA9CA2CA7
SCHEMBL20554521 0.89 CA12 (0.53) CA12CA1CA9CA2CA7
SCHEMBL19856490 0.88 CA12 (0.47) CA12CA1CA9CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5494605-A FERROELECTRIC, CHEMICALLY STABLE WITH WIDE TEMPERATURE RANGE KANTO KAGAKU KABUSHIKI KAISHA (JP) 1996-02-27 US disclosed
US-5382380-A Ferroelectric material for displays KANTO KAGAKU KABUSHIKI KAISHA (JP) 1995-01-17 US disclosed
EP-0360043-B1 p-Terphenyl derivatives and liquid crystalline compositions KANTO KAGAKU (JP) 1994-11-09 EP disclosed
EP-0360042-B1 p-Terphenyl derivatives and liquid crystalline compositions KANTO KAGAKU (JP) 1993-11-03 EP disclosed