SCHEMBL20149706

SCHEMBL20149706

Cc1ccc(-c2ccc(Oc3ccc(S(C)(=O)=O)cc3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.58
HTT P42858 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
PTGS1 P23219 5/20 0.57
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
FFAR1 O14842 1/20 0.49

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
SCHEMBL12708896 1.00 PTGS2 (0.58) PTGS2HTTSMN1; SMN2PTGS1TDP1
SCHEMBL2758532 1.00 PTGS2 (0.58) PTGS2HTTSMN1; SMN2PTGS1TDP1
SCHEMBL15097133 0.95 HTT (0.67) PTGS2HTTSMN1; SMN2PTGS1TDP1
SCHEMBL10014119 0.95 HTT (0.67) PTGS2HTTSMN1; SMN2PTGS1TDP1
SCHEMBL9888806 0.95 HTT (0.67) PTGS2HTTSMN1; SMN2PTGS1TDP1
SCHEMBL2758531 0.94 HTT (0.63) PTGS2HTTSMN1; SMN2PTGS1TDP1
SCHEMBL13814624 0.94 HTT (0.63) PTGS2HTTSMN1; SMN2PTGS1TDP1
SCHEMBL8941654 0.92 PTGS2 (0.56) PTGS2HTTSMN1; SMN2PTGS1
SCHEMBL23326005 0.89 PTGS2 (0.50) PTGS2HTTSMN1; SMN2PTGS1TDP1
SCHEMBL2758530 0.89 PTGS2 (0.50) PTGS2HTTSMN1; SMN2PTGS1TDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230149860-A1 GAS FILTER FOR SEPARATING GASEOUS COMPOSITIONS KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2023-05-18 US disclosed
US-10961350-B2 Polymer composition and sterilizable articles obtainable therefrom SOLVAY SPECIALTY POLYMERS USA, INC. (US) 2021-03-30 US disclosed
US-20180134849-A1 POLYMER COMPOSITION AND STERILIZABLE ARTICLES OBTAINABLE THEREFROM SOLVAY SPECIALTY POLYMERS USA, LLC 2018-05-17 US disclosed
US-20180134849-A1 POLYMER COMPOSITION AND STERILIZABLE ARTICLES OBTAINABLE THEREFROM SOLVAY SPECIALTY POLYMERS USA, LLC 2018-05-17 US disclosed