SCHEMBL20537987

SCHEMBL20537987

COc1ccc(/C=C/C(=O)Nc2cccc(C=Cc3cc(OC)c(OC)c(OC)c3)c2)cc1OC

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.72
KMT2A Q03164 6/20 0.72
SMN1; SMN2 Q16637 3/20 0.72
RAB9A P51151 2/20 0.72
NPC1 O15118 1/20 0.72
STAT1 P42224 1/20 0.72
BCHE P06276 2/20 0.64
KDM4E B2RXH2 4/20 0.64
HTT P42858 3/20 0.63
MAPT P10636 4/20 0.63
TP53 P04637 1/20 0.63
ALDH1A1 P00352 3/20 0.62
MAPK1 P28482 1/20 0.62
HPGD P15428 2/20 0.62
LMNA P02545 1/20 0.62
GAA P10253 1/20 0.61
CA12 O43570 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA9 Q16790 1/20 0.60

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
SCHEMBL19801028 1.00 MEN1 (0.72) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL20538322 0.95 HTT (0.69) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL20538320 0.95 HTT (0.69) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL20538161 0.92 BCHE (0.77) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL20538158 0.92 BCHE (0.77) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL20537939 0.92 MEN1 (0.66) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL20537938 0.92 MEN1 (0.66) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL20537942 0.92 MEN1 (0.66) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL19801017 0.91 TUBB1 (0.62) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL19801055 0.91 SMN1; SMN2 (0.65) MEN1KMT2ASMN1; SMN2RAB9ANPC1

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