SCHEMBL20537896

SCHEMBL20537896

COc1ccc(/C=C/C(=O)Nc2c(O)cccc2C=Cc2cc(OC)c(OC)c(OC)c2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.58
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
NPC1 O15118 1/20 0.56
STAT1 P42224 1/20 0.56
RAB9A P51151 1/20 0.56
TUBB1 Q9H4B7 3/20 0.55
TUBB4A P04350 2/20 0.55
TUBB P07437 2/20 0.55
TUBA3C P0DPH7 2/20 0.55
TUBA1B P68363 2/20 0.55
TUBA4A P68366 2/20 0.55
TUBB4B P68371 2/20 0.55
TUBB3 Q13509 2/20 0.55
TUBB2A Q13885 2/20 0.55
TUBB8 Q3ZCM7 2/20 0.55
TUBA3E Q6PEY2 2/20 0.55
TUBA1A Q71U36 2/20 0.55
TUBA1C Q9BQE3 2/20 0.55

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
SCHEMBL19800966 1.00 BCHE (0.58) BCHEMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL20538070 0.95 BCHE (0.66) BCHEMEN1KMT2ATUBB1TUBB4A
SCHEMBL20538072 0.95 BCHE (0.66) BCHEMEN1KMT2ATUBB1TUBB4A
SCHEMBL20537712 0.95 HTT (0.57) BCHEMEN1KMT2ASMN1; SMN2TUBB1
SCHEMBL20537714 0.95 HTT (0.57) BCHEMEN1KMT2ASMN1; SMN2TUBB1
SCHEMBL20538433 0.94 KDM1A (0.61) BCHEMEN1KMT2ATUBB1TUBB4A
SCHEMBL20538435 0.94 KDM1A (0.61) BCHEMEN1KMT2ATUBB1TUBB4A
SCHEMBL20538518 0.93 MMP1 (0.57) BCHEMEN1KMT2ATUBB1TUBB4A
SCHEMBL20538516 0.93 MMP1 (0.57) BCHEMEN1KMT2ATUBB1TUBB4A
SCHEMBL20538009 0.93 MMP1 (0.57) BCHEMEN1KMT2ASMN1; SMN2TUBB1

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