SCHEMBL20538218

SCHEMBL20538218

COc1cc(/C=C/C(=O)Nc2cc(/C=C/c3cc(OC)c(OC)c(OC)c3)ccc2OC)ccc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 6/20 0.67
▸ BCHE P06276 1/20 0.64
▸ TUBB4A P04350 3/20 0.61
▸ TUBB P07437 3/20 0.61
▸ TUBA3C P0DPH7 3/20 0.61
▸ TUBA1B P68363 3/20 0.61
▸ TUBA4A P68366 3/20 0.61
▸ TUBB4B P68371 3/20 0.61
▸ TUBB3 Q13509 3/20 0.61
▸ TUBB2A Q13885 3/20 0.61
▸ TUBB8 Q3ZCM7 3/20 0.61
▸ TUBA3E Q6PEY2 3/20 0.61
▸ TUBA1A Q71U36 3/20 0.61
▸ TUBA1C Q9BQE3 3/20 0.61
▸ TUBB6 Q9BUF5 3/20 0.61
▸ TUBB2B Q9BVA1 3/20 0.61
▸ TUBB1 Q9H4B7 3/20 0.61
▸ MMP9 P14780 2/20 0.61
▸ MMP1 P03956 1/20 0.61
▸ MMP2 P08253 1/20 0.61

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
SCHEMBL20538220 1.00 KDM1A (0.67) KDM1ABCHETUBB4ATUBBTUBA3C
SCHEMBL20538412 0.94 MMP1 (0.69) KDM1ABCHETUBB4ATUBBTUBA3C
SCHEMBL20538410 0.94 MMP1 (0.69) KDM1ABCHETUBB4ATUBBTUBA3C
SCHEMBL20537857 0.94 KDM1A (0.72) KDM1ABCHETUBB4ATUBBTUBA3C
SCHEMBL20537858 0.94 KDM1A (0.72) KDM1ABCHETUBB4ATUBBTUBA3C
SCHEMBL20537851 0.94 TUBB4A (0.65) BCHETUBB4ATUBBTUBA3CTUBA1B
SCHEMBL20537855 0.94 TUBB4A (0.65) BCHETUBB4ATUBBTUBA3CTUBA1B
SCHEMBL20537850 0.93 BCHE (0.74) KDM1ABCHETUBB4ATUBBTUBA3C
SCHEMBL20537848 0.93 BCHE (0.74) KDM1ABCHETUBB4ATUBBTUBA3C
SCHEMBL20538622 0.92 KDM1A (0.69) KDM1ABCHETUBB4ATUBBTUBA3C

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
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