SCHEMBL23326005

SCHEMBL23326005

Cc1ccc(Oc2ccc([S@+]([O-])c3ccc(-c4ccc(S(C)(=O)=O)cc4)cc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.50
PTGS1 P23219 5/20 0.49
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
FFAR1 O14842 1/20 0.41

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
SCHEMBL14137628 0.91 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL12708896 0.89 PTGS2 (0.58) PTGS2PTGS1HTTSMN1; SMN2TDP1
SCHEMBL2758532 0.89 PTGS2 (0.58) PTGS2PTGS1HTTSMN1; SMN2TDP1
SCHEMBL20149706 0.89 PTGS2 (0.58) PTGS2PTGS1HTTSMN1; SMN2TDP1
SCHEMBL18661492 0.84 HTT (0.55) HTTSMN1; SMN2TDP1L3MBTL1
SCHEMBL15097133 0.84 HTT (0.67) PTGS2PTGS1HTTSMN1; SMN2TDP1
SCHEMBL10014119 0.84 HTT (0.67) PTGS2PTGS1HTTSMN1; SMN2TDP1
SCHEMBL9888806 0.84 HTT (0.67) PTGS2PTGS1HTTSMN1; SMN2TDP1
SCHEMBL13814624 0.83 HTT (0.63) PTGS2PTGS1HTTSMN1; SMN2TDP1
SCHEMBL2758531 0.83 HTT (0.63) PTGS2PTGS1HTTSMN1; SMN2TDP1

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
EP-3815773-A1 METHOD FOR PRODUCING POROUS HOLLOW FIBER MEMBRANE FOR HUMIDIFICATION NOK Corporation (JP) 2021-05-05 EP disclosed