SCHEMBL20537918

SCHEMBL20537918

COc1ccc(/C=C/C(=O)Nc2c(C=Cc3cc(OC)c(OC)c(OC)c3)cccc2OC)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.58
KMT2A Q03164 6/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
STAT1 P42224 1/20 0.58
CYP1A2 P05177 3/20 0.57
CYP1A1 P04798 1/20 0.57
CYP1B1 Q16678 1/20 0.57
HDAC3 O15379 1/20 0.57
TUBB4A P04350 1/20 0.57
TUBB P07437 1/20 0.57
TUBA3C P0DPH7 1/20 0.57
HDAC4 P56524 1/20 0.57
TUBA1B P68363 1/20 0.57
TUBA4A P68366 1/20 0.57
TUBB4B P68371 1/20 0.57
TUBB3 Q13509 1/20 0.57
HDAC1 Q13547 1/20 0.57
TUBB2A Q13885 1/20 0.57

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
SCHEMBL19801022 1.00 MEN1 (0.58) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL20538344 0.94 HTT (0.59) MEN1KMT2ASMN1; SMN2CYP1A2HDAC3
SCHEMBL20538345 0.94 HTT (0.59) MEN1KMT2ASMN1; SMN2CYP1A2HDAC3
SCHEMBL20538107 0.93 BCHE (0.66) MEN1KMT2AHDAC3TUBB4ATUBB
SCHEMBL20538104 0.93 BCHE (0.66) MEN1KMT2AHDAC3TUBB4ATUBB
SCHEMBL19800988 0.92 TUBB1 (0.61) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL20538483 0.92 TUBB1 (0.61) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL20538485 0.92 TUBB1 (0.61) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL20537896 0.92 BCHE (0.58) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL20538541 0.92 KDM1A (0.59) MEN1KMT2ACYP1A2HDAC3TUBB4A

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