SCHEMBL8941654

SCHEMBL8941654

CS(=O)(=O)c1ccc(Oc2ccc(-c3ccc(Oc4ccc(S(C)(=O)=O)cc4)cc3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.56
PTGS1 P23219 8/20 0.53
HTT P42858 3/20 0.52
ALDH1A1 P00352 2/20 0.52
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ENPP2 Q13822 1/20 0.48

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
SCHEMBL11547843 0.93 HTT (0.58) PTGS2PTGS1HTTALDH1A1LMNA
SCHEMBL12708896 0.92 PTGS2 (0.58) PTGS2PTGS1HTTSMN1; SMN2
SCHEMBL20149706 0.92 PTGS2 (0.58) PTGS2PTGS1HTTSMN1; SMN2
SCHEMBL2758532 0.92 PTGS2 (0.58) PTGS2PTGS1HTTSMN1; SMN2
SCHEMBL1676176 0.92 PTGS2 (0.63) PTGS2PTGS1HTTLMNASMN1; SMN2
SCHEMBL14097069 0.92 PTGS2 (0.65) PTGS2PTGS1ALDH1A1
SCHEMBL16361390 0.90 ENPP2 (0.67) PTGS2PTGS1ENPP2
SCHEMBL9888806 0.87 HTT (0.67) PTGS2PTGS1HTTSMN1; SMN2
SCHEMBL10014119 0.87 HTT (0.67) PTGS2PTGS1HTTSMN1; SMN2
SCHEMBL15097133 0.87 HTT (0.67) PTGS2PTGS1HTTSMN1; SMN2

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-5480568-A FOR LUBRICATING METAL CONTAINING SURFACES THE DOW CHEMICAL COMPANY (US) 1996-01-02 US claimed