SCHEMBL9790992

SCHEMBL9790992

CCCCCCc1ccc(SC)c(/C=C/C(=O)N(C)O)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.41
▸ KAT8 Q9H7Z6 2/20 0.40
▸ THRA P10827 2/20 0.40
▸ THRB P10828 2/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ ATG4B Q9Y4P1 11/20 0.39
▸ PLA2G1B P04054 9/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ RECQL P46063 1/20 0.39

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
SCHEMBL9790994 1.00 ALOX5 (0.41) ALOX5KAT8THRATHRBPPARA
SCHEMBL9791022 0.91 ALOX5 (0.41) ALOX5KAT8THRATHRBPPARA
SCHEMBL9791027 0.91 ALOX5 (0.41) ALOX5KAT8THRATHRBPPARA
SCHEMBL9790982 0.86 ALOX5 (0.46) ALOX5
SCHEMBL9790978 0.86 ALOX5 (0.46) ALOX5
SCHEMBL9791242 0.85 ATG4B (0.51) KAT8THRATHRBPPARAATG4B
SCHEMBL9791241 0.85 ATG4B (0.51) KAT8THRATHRBPPARAATG4B
SCHEMBL9791142 0.84 THRA (0.42) KAT8THRATHRBPPARAATG4B
Hydrochloric Acid SCHEMBL9791144 0.84 ATG4B (0.50) KAT8THRATHRBPPARAATG4B
SCHEMBL9791140 0.84 THRA (0.42) 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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