SCHEMBL20537980

SCHEMBL20537980

COc1cc(C=Cc2ccc(NC(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)cc2)cc(OC)c1OC

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.82
SMN1; SMN2 Q16637 4/20 0.79
MEN1 O00255 4/20 0.79
KMT2A Q03164 4/20 0.79
ALDH1A1 P00352 2/20 0.79
HPGD P15428 2/20 0.79
GAA P10253 2/20 0.79
MAPT P10636 1/20 0.79
KDM4E B2RXH2 2/20 0.76
LMNA P02545 1/20 0.76
CA12 O43570 3/20 0.75
CA9 Q16790 3/20 0.75
CA1 P00915 2/20 0.75
CA2 P00918 2/20 0.75
BCHE P06276 2/20 0.70
POLB P06746 1/20 0.67
KDM1A O60341 2/20 0.64
NPC1 O15118 1/20 0.64
STAT1 P42224 1/20 0.64
RAB9A P51151 1/20 0.64

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
SCHEMBL20537978 1.00 HTT (0.82) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL20537899 0.95 HTT (0.75) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL20537901 0.95 HTT (0.75) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL19801070 0.95 HTT (0.75) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL20538153 0.95 HTT (0.75) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL20538290 0.95 HTT (0.75) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL20538150 0.95 HTT (0.75) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL20537898 0.95 HTT (0.75) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL19800968 0.95 HTT (0.75) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL19801071 0.95 HTT (0.75) HTTSMN1; SMN2MEN1KMT2AALDH1A1

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
EP-3183230-B1 N-((3,4,5-TRIMETHOXYSTYRYL)ARYL)CINNAMAMIDE COMPOUNDS AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2018-10-24 EP claimed