SCHEMBL20537901

SCHEMBL20537901

COc1cc(C=Cc2ccc(NC(=O)C=Cc3ccccc3)cc2)cc(OC)c1OC

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.75
SMN1; SMN2 Q16637 4/20 0.72
MEN1 O00255 4/20 0.72
KMT2A Q03164 4/20 0.72
ALDH1A1 P00352 3/20 0.72
HPGD P15428 3/20 0.72
GAA P10253 3/20 0.72
MAPT P10636 1/20 0.72
KDM4E B2RXH2 2/20 0.70
LMNA P02545 2/20 0.70
NPC1 O15118 1/20 0.69
STAT1 P42224 1/20 0.69
RAB9A P51151 1/20 0.69
CA12 O43570 1/20 0.69
CA1 P00915 1/20 0.69
CA2 P00918 1/20 0.69
CA9 Q16790 1/20 0.69
TOP2A P11388 1/20 0.68
KDM1A O60341 1/20 0.66
EGFR P00533 1/20 0.66

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
SCHEMBL20537898 1.00 HTT (0.75) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL20537899 1.00 HTT (0.75) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL20537978 0.95 HTT (0.82) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL20537980 0.95 HTT (0.82) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL20538346 0.91 MMP1 (0.69) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL20538347 0.91 MMP1 (0.69) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL20537939 0.90 MEN1 (0.66) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL20538290 0.90 HTT (0.75) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL20538153 0.90 HTT (0.75) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL20538150 0.90 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