SCHEMBL9791142

SCHEMBL9791142

CCCCCCc1ccc(SC)c(C=CC(=O)Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 3/20 0.42
▸ THRB P10828 3/20 0.42
▸ KAT8 Q9H7Z6 2/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ ATG4B Q9Y4P1 11/20 0.41
▸ PLA2G1B P04054 9/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ RECQL P46063 1/20 0.41

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
SCHEMBL9791140 1.00 THRA (0.42) THRATHRBKAT8PPARAATG4B
SCHEMBL9791242 0.89 ATG4B (0.51) THRATHRBKAT8PPARAATG4B
SCHEMBL9791241 0.89 ATG4B (0.51) THRATHRBKAT8PPARAATG4B
Hydrochloric Acid SCHEMBL9791144 0.88 ATG4B (0.50) THRATHRBKAT8PPARAATG4B
SCHEMBL9791000 0.85 BACE1 (0.41) —
SCHEMBL9790992 0.84 ALOX5 (0.41) THRATHRBKAT8PPARAATG4B
SCHEMBL9790994 0.84 ALOX5 (0.41) THRATHRBKAT8PPARAATG4B
SCHEMBL9791110 0.80 CDK1 (0.51) THRATHRBKAT8PPARA
SCHEMBL11765624 0.76 THRA (0.54) THRATHRBATG4BPLA2G1BCYP1A2
SCHEMBL6942269 0.76 THRA (0.54) THRATHRBATG4BPLA2G1BCYP1A2

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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