SCHEMBL20537940

SCHEMBL20537940

COc1cccc(/C=C/C(=O)Nc2cccc(/C=C/c3cc(OC)c(OC)c(OC)c3)c2)c1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.69
MMP1 P03956 4/20 0.67
MMP2 P08253 4/20 0.67
MMP9 P14780 4/20 0.67
TUBB4A P04350 1/20 0.66
TUBB P07437 1/20 0.66
TUBA3C P0DPH7 1/20 0.66
TUBA1B P68363 1/20 0.66
TUBA4A P68366 1/20 0.66
TUBB4B P68371 1/20 0.66
TUBB3 Q13509 1/20 0.66
TUBB2A Q13885 1/20 0.66
TUBB8 Q3ZCM7 1/20 0.66
TUBA3E Q6PEY2 1/20 0.66
TUBA1A Q71U36 1/20 0.66
TUBA1C Q9BQE3 1/20 0.66
TUBB6 Q9BUF5 1/20 0.66
TUBB2B Q9BVA1 1/20 0.66
TUBB1 Q9H4B7 1/20 0.66
MEN1 O00255 4/20 0.62

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
SCHEMBL20537944 1.00 BCHE (0.69) BCHEMMP1MMP2MMP9TUBB4A
SCHEMBL20538322 0.94 HTT (0.69) BCHEMMP1MMP2MMP9MEN1
SCHEMBL20538320 0.94 HTT (0.69) BCHEMMP1MMP2MMP9MEN1
SCHEMBL19801059 0.92 SMN1; SMN2 (0.65) BCHEMMP1MMP2MMP9MEN1
SCHEMBL20538077 0.92 BCHE (0.68) BCHEMMP1MMP2MMP9TUBB4A
SCHEMBL20538074 0.92 BCHE (0.68) BCHEMMP1MMP2MMP9TUBB4A
SCHEMBL19801055 0.92 SMN1; SMN2 (0.65) BCHEMMP1MMP2MMP9MEN1
SCHEMBL20537939 0.91 MEN1 (0.66) BCHEMMP1MMP2MMP9TUBB4A
SCHEMBL20537942 0.91 MEN1 (0.66) BCHEMMP1MMP2MMP9TUBB4A
SCHEMBL20537938 0.91 MEN1 (0.66) BCHEMMP1MMP2MMP9TUBB4A

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