SCHEMBL9791024

SCHEMBL9791024

CSc1ccc(/C=C/C(=O)N(C)O)c(Cc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TBXA2R P21731 3/20 0.56
▸ PTGER3 P43115 3/20 0.56
▸ PTGER2 P43116 3/20 0.56
▸ PTGDR Q13258 3/20 0.56
▸ ALOX5 P09917 2/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ PTGER4 P35408 2/20 0.38
▸ PTGFR P43088 2/20 0.38
▸ PTGER1 P34995 1/20 0.37
▸ PTGIR P43119 1/20 0.37
▸ MAOB P27338 1/20 0.37

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
SCHEMBL9791029 1.00 TBXA2R (0.56) TBXA2RPTGER3PTGER2PTGDRALOX5
SCHEMBL9791023 0.85 PTGER3 (0.73) TBXA2RPTGER3PTGER2PTGDRALOX5
SCHEMBL9791019 0.85 PTGER3 (0.73) TBXA2RPTGER3PTGER2PTGDRALOX5
SCHEMBL9791289 0.82 PTGER3 (0.56) TBXA2RPTGER3PTGER2PTGDRALOX5
SCHEMBL9791294 0.82 PTGER3 (0.56) TBXA2RPTGER3PTGER2PTGDRALOX5
SCHEMBL9791008 0.80 PTGS1 (0.39) TBXA2RPTGER3PTGER2PTGDRALOX5
SCHEMBL9791010 0.80 PTGS1 (0.39) TBXA2RPTGER3PTGER2PTGDRALOX5
SCHEMBL9791047 0.80 TBXA2R (0.38) TBXA2RPTGER3PTGER2PTGDRALOX5
SCHEMBL9791052 0.80 TBXA2R (0.38) TBXA2RPTGER3PTGER2PTGDRALOX5
SCHEMBL9790985 0.73 ALOX5 (0.46) ALOX5PTGS1PTGS2

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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