SCHEMBL9791010

SCHEMBL9791010

CN(O)C(=O)C=Cc1ccc(S(C)(=O)=O)cc1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.39
▸ PTGS2 P35354 2/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ TBXA2R P21731 2/20 0.39
▸ PTGER3 P43115 2/20 0.39
▸ PTGER2 P43116 2/20 0.39
▸ PTGDR Q13258 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ PTGER4 P35408 1/20 0.37
▸ PTGFR P43088 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
SCHEMBL9791008 1.00 PTGS1 (0.39) PTGS1PTGS2ALOX5TBXA2RPTGER3
SCHEMBL9791075 0.86 PTGER3 (0.48) PTGS1PTGS2TBXA2RPTGER3PTGER2
SCHEMBL9791070 0.86 PTGER3 (0.48) PTGS1PTGS2TBXA2RPTGER3PTGER2
SCHEMBL9791294 0.81 PTGER3 (0.56) PTGS1PTGS2ALOX5TBXA2RPTGER3
SCHEMBL9791289 0.81 PTGER3 (0.56) PTGS1PTGS2ALOX5TBXA2RPTGER3
SCHEMBL9791029 0.80 TBXA2R (0.56) PTGS1PTGS2ALOX5TBXA2RPTGER3
SCHEMBL9791024 0.80 TBXA2R (0.56) PTGS1PTGS2ALOX5TBXA2RPTGER3
SCHEMBL9790998 0.74 ALOX5 (0.41) PTGS1PTGS2ALOX5
SCHEMBL9790993 0.74 ALOX5 (0.41) PTGS1PTGS2ALOX5
SCHEMBL9791072 0.71 ALOX5 (0.41) PTGS1PTGS2ALOX5

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
Send feedback