SCHEMBL9791231

SCHEMBL9791231

CCc1ccc(CCCc2ccccc2)cc1/C=C/C(=O)N(C)O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 3/20 0.44
▸ ALDH1A1 P00352 1/20 0.41
▸ LTB4R Q15722 2/20 0.41
▸ LTB4R2 Q9NPC1 2/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ EGFR P00533 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
SCHEMBL9791236 1.00 ALOX5 (0.44) ALOX5ALDH1A1LTB4RLTB4R2PTGS1
SCHEMBL9790982 0.83 ALOX5 (0.46) ALOX5LTB4RLTB4R2PTGS1PTGS2
SCHEMBL9790978 0.83 ALOX5 (0.46) ALOX5LTB4RLTB4R2PTGS1PTGS2
SCHEMBL9791072 0.82 ALOX5 (0.41) ALOX5LTB4RLTB4R2PTGS1PTGS2
SCHEMBL9791020 0.82 ALOX5 (0.41) ALOX5LTB4RLTB4R2PTGS1PTGS2
SCHEMBL9791107 0.82 PTGER3 (0.51) ALOX5ALDH1A1PTGS1PTGS2NPC1
SCHEMBL9791170 0.82 PTGER3 (0.51) ALOX5ALDH1A1PTGS1PTGS2NPC1
SCHEMBL9791082 0.81 ALOX5 (0.40) ALOX5ALDH1A1LTB4RLTB4R2PTGS1
SCHEMBL9791078 0.81 ALOX5 (0.40) ALOX5ALDH1A1LTB4RLTB4R2PTGS1
SCHEMBL9791077 0.81 LTB4R (0.39) ALOX5LTB4RLTB4R2PTGS1PTGS2

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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