SCHEMBL9791071

SCHEMBL9791071

CN(O)C(=O)C=Cc1ccc(CCCc2ccccc2)cc1[S+](C)[O-]

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 4/20 0.40
▸ PTGS1 P23219 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ AKR1B10 O60218 1/20 0.37
▸ AKR1B1 P15121 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ LTB4R Q15722 2/20 0.36
▸ LTB4R2 Q9NPC1 2/20 0.36

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
SCHEMBL9791067 1.00 ALOX5 (0.40) ALOX5PTGS1PTGS2AKR1B10AKR1B1
SCHEMBL9791078 0.91 ALOX5 (0.40) ALOX5PTGS1PTGS2AKR1B10AKR1B1
SCHEMBL9791082 0.91 ALOX5 (0.40) ALOX5PTGS1PTGS2AKR1B10AKR1B1
SCHEMBL9790972 0.87 KAT8 (0.38) —
SCHEMBL9790969 0.87 KAT8 (0.38) —
SCHEMBL9790986 0.80 ALOX5 (0.46) ALOX5PTGS1PTGS2AKR1B10AKR1B1
SCHEMBL9790985 0.80 ALOX5 (0.46) ALOX5PTGS1PTGS2AKR1B10AKR1B1
SCHEMBL9791231 0.79 ALOX5 (0.44) ALOX5PTGS1PTGS2ALDH1A1LTB4R
SCHEMBL9791236 0.79 ALOX5 (0.44) ALOX5PTGS1PTGS2ALDH1A1LTB4R
SCHEMBL9790998 0.79 ALOX5 (0.41) 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 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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