SCHEMBL17304586

SCHEMBL17304586

COc1ccc(/C=C/C(=O)Oc2ccc(OC(=O)/C=C/c3ccc(OC)cc3)c(C)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.67
KDM4E B2RXH2 1/20 0.67
ALDH1A1 P00352 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
MAPT P10636 2/20 0.63
MEN1 O00255 1/20 0.63
F3 P13726 2/20 0.55
THRB P10828 1/20 0.54
ATM Q13315 1/20 0.54
ABCG2 Q9UNQ0 3/20 0.53
TNFRSF1A P19438 3/20 0.53
GSK3B P49841 1/20 0.53
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL17301221 0.96 KMT2A (0.63) KMT2AKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL14877831 0.95 KMT2A (0.65) KMT2AKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL17304615 0.87 KMT2A (0.65) KMT2AKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL17301224 0.87 KMT2A (0.58) KMT2AKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL689212 0.86 KMT2A (0.59) KMT2AKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL10037013 0.86 KMT2A (0.59) KMT2AKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL29555131 0.86 KMT2A (0.59) KMT2AKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL17301249 0.85 KMT2A (0.63) KMT2AKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL12154214 0.85 SMN1; SMN2 (0.56) KMT2AKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL17304610 0.84 MAPT (0.62) KMT2AKDM4EALDH1A1SMN1; SMN2MAPT

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-20150344782-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, POLYMER MATERIAL AND METHOD FOR MANUFACTURING THE SAME, AND FILM FUJIFILM CORPORATION (JP) 2015-12-03 US disclosed