SCHEMBL9790972

SCHEMBL9790972

CCCCCCc1ccc(C=CC(=O)N(C)O)c([S+](C)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KAT8 Q9H7Z6 2/20 0.38
▸ THRA P10827 2/20 0.38
▸ THRB P10828 2/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ ATG4B Q9Y4P1 11/20 0.38
▸ PLA2G1B P04054 9/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ RECQL P46063 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
SCHEMBL9790969 1.00 KAT8 (0.38) KAT8THRATHRBPPARAATG4B
SCHEMBL9791068 0.91 KAT8 (0.38) KAT8THRATHRBPPARAATG4B
SCHEMBL9791073 0.91 KAT8 (0.38) KAT8THRATHRBPPARAATG4B
SCHEMBL9791071 0.87 ALOX5 (0.40) —
SCHEMBL9791022 0.80 ALOX5 (0.41) KAT8THRATHRBPPARAATG4B
SCHEMBL9791027 0.80 ALOX5 (0.41) KAT8THRATHRBPPARAATG4B
SCHEMBL9791005 0.79 KAT8 (0.39) KAT8THRATHRBPPARAATG4B
SCHEMBL9791003 0.79 KAT8 (0.39) KAT8THRATHRBPPARAATG4B
SCHEMBL9791049 0.79 KAT8 (0.39) KAT8THRATHRBPPARAATG4B
SCHEMBL9791054 0.79 KAT8 (0.39) KAT8THRATHRBPPARAATG4B

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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