SCHEMBL9791107

SCHEMBL9791107

CN(O)C(=O)C=Cc1ccccc1CCCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTGER3 P43115 3/20 0.51
▸ PTGER2 P43116 3/20 0.51
▸ PTGER4 P35408 2/20 0.51
▸ ALOX5 P09917 3/20 0.48
▸ ALDH1A1 P00352 1/20 0.42
▸ PTGS1 P23219 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ TBXA2R P21731 1/20 0.40
▸ PTGDR Q13258 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL9791170 1.00 PTGER3 (0.51) PTGER3PTGER2PTGER4ALOX5ALDH1A1
SCHEMBL9791084 0.86 PTGER4 (0.41) PTGER3PTGER2PTGER4ALOX5PTGS1
SCHEMBL9791087 0.86 PTGER4 (0.41) PTGER3PTGER2PTGER4ALOX5PTGS1
SCHEMBL9791289 0.85 PTGER3 (0.56) PTGER3PTGER2PTGER4ALOX5PTGS1
SCHEMBL9791294 0.85 PTGER3 (0.56) PTGER3PTGER2PTGER4ALOX5PTGS1
SCHEMBL3251665 0.83 PTGER3 (0.64) PTGER3PTGER2PTGER4ALOX5ALDH1A1
SCHEMBL9791231 0.82 ALOX5 (0.44) ALOX5ALDH1A1PTGS1PTGS2NPC1
SCHEMBL9791236 0.82 ALOX5 (0.44) ALOX5ALDH1A1PTGS1PTGS2NPC1
SCHEMBL9790977 0.80 ALOX5 (0.45) ALOX5ALDH1A1PTGS1PTGS2
SCHEMBL9790982 0.78 ALOX5 (0.46) ALOX5PTGS1PTGS2

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
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