SCHEMBL9791102

SCHEMBL9791102

CN(O)C(=O)C=Cc1ccccc1-c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.50
ALOX5 P09917 2/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
PTGER1 P34995 2/20 0.46
PTGER3 P43115 2/20 0.46
PTGER2 P43116 2/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PTGER4 P35408 1/20 0.41

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
SCHEMBL9791099 1.00 BACE1 (0.50) BACE1ALOX5PTGS1PTGS2PTGER1
SCHEMBL2433472 0.79 PTGER3 (0.66) BACE1PTGER1PTGER3PTGER2MEN1
SCHEMBL181054 0.79 PTGER3 (0.66) BACE1PTGER1PTGER3PTGER2MEN1
SCHEMBL30317554 0.79 BACE1 (0.58) BACE1PTGER1PTGER3PTGER2SMN1; SMN2
SCHEMBL17833498 0.78 TRPM8 (0.47) ALOX5PTGS1PTGS2SMN1; SMN2
Hydrochloric Acid SCHEMBL11527565 0.78 PTGER3 (0.64) BACE1PTGER1PTGER3PTGER2MEN1
SCHEMBL9877155 0.77 HDAC2 (0.57) ALOX5PTGS1PTGS2
SCHEMBL13697272 0.77 ALOX5 (0.46) ALOX5PTGS1PTGS2
SCHEMBL3667411 0.76 BACE1 (0.55) BACE1PTGER1PTGER3PTGER2MEN1
SCHEMBL6835913 0.76 BACE1 (0.55) BACE1PTGER1PTGER3PTGER2MEN1

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
US-5028629-A 2-(Substituted)-N-Hydroxy-N-Alkylcinnamamides ELI LILLY AND COMPANY (US) 1991-07-02 US disclosed