SCHEMBL9791020

SCHEMBL9791020

CN(O)C(=O)C=Cc1cc(CCCc2ccccc2)ccc1S(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 3/20 0.41
▸ LTB4R Q15722 2/20 0.39
▸ LTB4R2 Q9NPC1 2/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ POLB P06746 1/20 0.37

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
SCHEMBL9791072 1.00 ALOX5 (0.41) ALOX5LTB4RLTB4R2PTGS1PTGS2
SCHEMBL9790998 0.91 ALOX5 (0.41) ALOX5LTB4RLTB4R2PTGS1PTGS2
SCHEMBL9790993 0.91 ALOX5 (0.41) ALOX5LTB4RLTB4R2PTGS1PTGS2
SCHEMBL9791054 0.86 KAT8 (0.39) —
SCHEMBL9791049 0.86 KAT8 (0.39) —
SCHEMBL9791231 0.82 ALOX5 (0.44) ALOX5LTB4RLTB4R2PTGS1PTGS2
SCHEMBL9791236 0.82 ALOX5 (0.44) ALOX5LTB4RLTB4R2PTGS1PTGS2
SCHEMBL9791078 0.81 ALOX5 (0.40) ALOX5LTB4RLTB4R2PTGS1PTGS2
SCHEMBL9790982 0.81 ALOX5 (0.46) ALOX5LTB4RLTB4R2PTGS1PTGS2
SCHEMBL9790978 0.81 ALOX5 (0.46) 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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