SCHEMBL17301239

SCHEMBL17301239

COc1ccc(/C=C/C(=O)Oc2ccc(OC(=O)/C=C/c3ccc(C)cc3)cc2Cl)cc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
MAOB P27338 3/20 0.54
MAOA P21397 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
TP53 P04637 2/20 0.51
THRB P10828 2/20 0.51
ABCG2 Q9UNQ0 2/20 0.50
F3 P13726 1/20 0.49
RELA Q04206 1/20 0.49
TNFRSF1A P19438 1/20 0.48
ATM Q13315 1/20 0.48
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL17304610 0.95 MAPT (0.62) MAPTKMT2AMEN1MAOBMAOA
SCHEMBL17301221 0.87 KMT2A (0.63) MAPTKMT2AMEN1MAOBMAOA
SCHEMBL17301249 0.87 KMT2A (0.63) MAPTKMT2AMEN1MAOBMAOA
SCHEMBL17301242 0.84 MAPT (0.55) MAPTKMT2AMEN1MAOBMAOA
SCHEMBL17301264 0.83 MAPT (0.57) MAPTKMT2AMEN1MAOBMAOA
SCHEMBL17304586 0.83 KMT2A (0.67) MAPTKMT2AMEN1MAOBMAOA
SCHEMBL17301238 0.81 KMT2A (0.57) MAPTKMT2AMEN1MAOBMAOA
SCHEMBL17304615 0.81 KMT2A (0.65) MAPTKMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL17301226 0.79 MAPT (0.55) MAPTKMT2AMEN1MAOBMAOA
SCHEMBL14877831 0.79 KMT2A (0.65) MAPTKMT2AMEN1SMN1; SMN2KDM4E

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