SCHEMBL20537923

SCHEMBL20537923

COc1ccc(/C=C/C(=O)Nc2cc(C=Cc3cc(OC)c(OC)c(OC)c3)cc(O)c2OC)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.66
▸ BACE1 P56817 1/20 0.62
▸ TUBB1 Q9H4B7 3/20 0.59
▸ TUBB4A P04350 2/20 0.59
▸ TUBB P07437 2/20 0.59
▸ TUBA3C P0DPH7 2/20 0.59
▸ TUBA1B P68363 2/20 0.59
▸ TUBA4A P68366 2/20 0.59
▸ TUBB4B P68371 2/20 0.59
▸ TUBB3 Q13509 2/20 0.59
▸ TUBB2A Q13885 2/20 0.59
▸ TUBB8 Q3ZCM7 2/20 0.59
▸ TUBA3E Q6PEY2 2/20 0.59
▸ TUBA1A Q71U36 2/20 0.59
▸ TUBA1C Q9BQE3 2/20 0.59
▸ TUBB6 Q9BUF5 2/20 0.59
▸ TUBB2B Q9BVA1 2/20 0.59
▸ SLC22A2 O15244 1/20 0.59
▸ SLCO2B1 O94956 1/20 0.59
▸ ABCB1 P08183 1/20 0.59

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
SCHEMBL19801021 1.00 BCHE (0.66) BCHEBACE1TUBB1TUBB4ATUBB
SCHEMBL20538593 0.95 BCHE (0.73) BCHEBACE1TUBB1TUBB4ATUBB
SCHEMBL20538594 0.95 BCHE (0.73) BCHEBACE1TUBB1TUBB4ATUBB
SCHEMBL20538289 0.93 KDM1A (0.66) BCHEBACE1TUBB1TUBB4ATUBB
SCHEMBL20537579 0.93 MMP1 (0.66) BCHEBACE1TUBB1TUBB4ATUBB
SCHEMBL20537578 0.93 MMP1 (0.66) BCHEBACE1TUBB1TUBB4ATUBB
SCHEMBL20538292 0.93 KDM1A (0.66) BCHEBACE1TUBB1TUBB4ATUBB
SCHEMBL20538214 0.93 HDAC3 (0.63) BCHETUBB1TUBB4ATUBBTUBA3C
SCHEMBL19801009 0.93 HDAC3 (0.63) BCHETUBB1TUBB4ATUBBTUBA3C
SCHEMBL20538633 0.93 ALDH1A1 (0.61) BCHEBACE1TUBB1TUBB4ATUBB

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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