SCHEMBL17301249

SCHEMBL17301249

COc1ccc(/C=C/C(=O)Oc2ccc(OC(=O)/C=C/c3ccc(C)cc3)cc2OC)cc1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
KDM4E B2RXH2 1/20 0.63
ALDH1A1 P00352 1/20 0.63
MAPT P10636 3/20 0.59
MEN1 O00255 1/20 0.59
MAOA P21397 1/20 0.57
MAOB P27338 1/20 0.57
ABCG2 Q9UNQ0 5/20 0.56
TNFRSF1A P19438 3/20 0.56
TP53 P04637 1/20 0.53
THRB P10828 1/20 0.53
PDE4A P27815 1/20 0.52
PDE4B Q07343 1/20 0.52
PDE4C Q08493 1/20 0.52
PDE4D Q08499 1/20 0.52
RELA Q04206 1/20 0.51
F3 P13726 1/20 0.51

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
SCHEMBL17304615 0.95 KMT2A (0.65) KMT2ASMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL18121578 0.90 MAPT (0.67) KMT2ASMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL17301221 0.90 KMT2A (0.63) KMT2ASMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL17301239 0.87 MAPT (0.56) KMT2ASMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL17301242 0.86 MAPT (0.55) KMT2ASMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL27220248 0.85 KMT2A (0.61) KMT2ASMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL17301264 0.85 MAPT (0.57) KMT2ASMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL17304586 0.85 KMT2A (0.67) KMT2ASMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL17301255 0.85 HTR1A (0.60) KMT2ASMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL22293341 0.84 KMT2A (0.63) KMT2ASMN1; SMN2KDM4EALDH1A1MAPT

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