SCHEMBL9790986

SCHEMBL9790986

CSc1cc(CCCc2ccccc2)ccc1C=CC(=O)N(C)O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 4/20 0.46
▸ PTGS1 P23219 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ AKR1B10 O60218 1/20 0.38
▸ AKR1B1 P15121 1/20 0.38
▸ LTB4R Q15722 1/20 0.38
▸ LTB4R2 Q9NPC1 1/20 0.38

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
SCHEMBL9790985 1.00 ALOX5 (0.46) ALOX5PTGS1PTGS2BACE1AKR1B10
SCHEMBL9790982 0.91 ALOX5 (0.46) ALOX5PTGS1PTGS2BACE1LTB4R
SCHEMBL9790978 0.91 ALOX5 (0.46) ALOX5PTGS1PTGS2BACE1LTB4R
SCHEMBL9791027 0.86 ALOX5 (0.41) ALOX5
SCHEMBL9791022 0.86 ALOX5 (0.41) ALOX5
SCHEMBL9791236 0.81 ALOX5 (0.44) ALOX5PTGS1PTGS2LTB4RLTB4R2
SCHEMBL9791231 0.81 ALOX5 (0.44) ALOX5PTGS1PTGS2LTB4RLTB4R2
SCHEMBL9790998 0.81 ALOX5 (0.41) ALOX5PTGS1PTGS2AKR1B10AKR1B1
SCHEMBL9790993 0.81 ALOX5 (0.41) ALOX5PTGS1PTGS2AKR1B10AKR1B1
SCHEMBL9791071 0.80 ALOX5 (0.40) ALOX5PTGS1PTGS2AKR1B10AKR1B1

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