SCHEMBL9791077

SCHEMBL9791077

CCCCSc1ccc(CCCc2ccccc2)cc1/C=C/C(=O)N(C)O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 2/20 0.39
▸ LTB4R2 Q9NPC1 2/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ ALOX5 P09917 2/20 0.38
▸ GABRA1 P14867 1/20 0.37
▸ GABRB2 P47870 1/20 0.37
▸ PTGS2 P35354 4/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ THRA P10827 1/20 0.36
▸ THRB P10828 1/20 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
SCHEMBL9791081 1.00 LTB4R (0.39) LTB4RLTB4R2HDAC6ALOX5GABRA1
SCHEMBL9790982 0.86 ALOX5 (0.46) LTB4RLTB4R2ALOX5PTGS2PTGS1
SCHEMBL9790978 0.86 ALOX5 (0.46) LTB4RLTB4R2ALOX5PTGS2PTGS1
SCHEMBL9790977 0.83 ALOX5 (0.45) HDAC6ALOX5PTGS2PTGS1
SCHEMBL9791043 0.82 ALOX5 (0.48) HDAC6ALOX5PTGS2
SCHEMBL9791045 0.82 ALOX5 (0.48) HDAC6ALOX5PTGS2
SCHEMBL9791205 0.81 ALOX5 (0.45) LTB4RHDAC6ALOX5PTGS2
SCHEMBL9791236 0.81 ALOX5 (0.44) LTB4RLTB4R2ALOX5PTGS2PTGS1
SCHEMBL9791231 0.81 ALOX5 (0.44) LTB4RLTB4R2ALOX5PTGS2PTGS1
SCHEMBL9791169 0.80 ALOX5 (0.48) LTB4RLTB4R2ALOX5PTGS2PTGS1

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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