SCHEMBL20537857

SCHEMBL20537857

COc1cc(/C=C/C(=O)Nc2cc(/C=C/c3cc(OC)c(OC)c(OC)c3)ccc2O)ccc1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 6/20 0.72
▸ TUBB4A P04350 2/20 0.62
▸ TUBB P07437 2/20 0.62
▸ TUBA3C P0DPH7 2/20 0.62
▸ TUBA1B P68363 2/20 0.62
▸ TUBA4A P68366 2/20 0.62
▸ TUBB4B P68371 2/20 0.62
▸ TUBB3 Q13509 2/20 0.62
▸ TUBB2A Q13885 2/20 0.62
▸ TUBB8 Q3ZCM7 2/20 0.62
▸ TUBA3E Q6PEY2 2/20 0.62
▸ TUBA1A Q71U36 2/20 0.62
▸ TUBA1C Q9BQE3 2/20 0.62
▸ TUBB6 Q9BUF5 2/20 0.62
▸ TUBB2B Q9BVA1 2/20 0.62
▸ TUBB1 Q9H4B7 2/20 0.62
▸ BCHE P06276 1/20 0.62
▸ KDM4E B2RXH2 2/20 0.60
▸ ALDH1A1 P00352 2/20 0.60
▸ LMNA P02545 2/20 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
SCHEMBL20537858 1.00 KDM1A (0.72) KDM1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL20538477 0.98 KDM1A (0.68) KDM1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL20538479 0.98 KDM1A (0.68) KDM1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL20538218 0.94 KDM1A (0.67) KDM1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL20538220 0.94 KDM1A (0.67) KDM1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL20537840 0.94 KDM1A (0.64) KDM1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL19800983 0.94 KDM1A (0.64) KDM1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL20538510 0.94 MMP1 (0.67) KDM1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL20538508 0.94 MMP1 (0.67) KDM1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL20537875 0.93 BCHE (0.73) KDM1ATUBB4ATUBBTUBA3CTUBA1B

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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