SCHEMBL9791047

SCHEMBL9791047

CCCCc1cc(SC)ccc1/C=C/C(=O)N(C)O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TBXA2R P21731 1/20 0.38
▸ PTGER3 P43115 1/20 0.38
▸ PTGER2 P43116 1/20 0.38
▸ PTGDR Q13258 1/20 0.38
▸ ALOX5 P09917 2/20 0.34
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33

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
SCHEMBL9791052 1.00 TBXA2R (0.38) TBXA2RPTGER3PTGER2PTGDRALOX5
SCHEMBL9791024 0.80 TBXA2R (0.56) TBXA2RPTGER3PTGER2PTGDRALOX5
SCHEMBL9791029 0.80 TBXA2R (0.56) TBXA2RPTGER3PTGER2PTGDRALOX5
SCHEMBL9791087 0.79 PTGER4 (0.41) PTGER3PTGER2ALOX5PTGS1PTGS2
SCHEMBL9791084 0.79 PTGER4 (0.41) PTGER3PTGER2ALOX5PTGS1PTGS2
SCHEMBL9791139 0.74 BID (0.40) ALOX5
SCHEMBL9791022 0.74 ALOX5 (0.41) ALOX5
SCHEMBL9791141 0.74 BID (0.40) ALOX5
SCHEMBL9791027 0.74 ALOX5 (0.41) ALOX5
SCHEMBL9791019 0.72 PTGER3 (0.73) TBXA2RPTGER3PTGER2PTGDRALOX5

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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