SCHEMBL9791075

SCHEMBL9791075

CN(O)C(=O)C=Cc1ccccc1Cc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTGER3 P43115 5/20 0.48
▸ PTGDR Q13258 4/20 0.48
▸ PTGER2 P43116 4/20 0.48
▸ TBXA2R P21731 3/20 0.48
▸ PTGER4 P35408 3/20 0.43
▸ PTGFR P43088 2/20 0.43
▸ PTGER1 P34995 2/20 0.43
▸ PTGIR P43119 1/20 0.43
▸ MAOB P27338 2/20 0.42
▸ PTGS2 P35354 3/20 0.40
▸ PTGS1 P23219 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
SCHEMBL9791070 1.00 PTGER3 (0.48) PTGER3PTGDRPTGER2TBXA2RPTGER4
SCHEMBL9791010 0.86 PTGS1 (0.39) PTGER3PTGDRPTGER2TBXA2RPTGER4
SCHEMBL9791008 0.86 PTGS1 (0.39) PTGER3PTGDRPTGER2TBXA2RPTGER4
SCHEMBL9791294 0.86 PTGER3 (0.56) PTGER3PTGDRPTGER2TBXA2RPTGER4
SCHEMBL9791289 0.86 PTGER3 (0.56) PTGER3PTGDRPTGER2TBXA2RPTGER4
SCHEMBL9791023 0.81 PTGER3 (0.73) PTGER3PTGDRPTGER2TBXA2RPTGER4
SCHEMBL9791019 0.81 PTGER3 (0.73) PTGER3PTGDRPTGER2TBXA2RPTGER4
SCHEMBL9791170 0.72 PTGER3 (0.51) PTGER3PTGDRPTGER2TBXA2RPTGER4
SCHEMBL9791107 0.72 PTGER3 (0.51) PTGER3PTGDRPTGER2TBXA2RPTGER4
SCHEMBL9791084 0.71 PTGER4 (0.41) PTGER3PTGER2PTGER4PTGS2PTGS1

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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