SCHEMBL19380417

SCHEMBL19380417

Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc(-c4ccc(OC(C)C)cc4)cc3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ TDP1 Q9NUW8 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ GAA P10253 1/20 0.50
▸ CNR2 P34972 1/20 0.48
▸ MMP14 P50281 3/20 0.48
▸ MMP2 P08253 2/20 0.48
▸ MMP3 P08254 2/20 0.48
▸ MMP9 P14780 2/20 0.48
▸ FFAR4 Q5NUL3 1/20 0.48
▸ ACACB O00763 1/20 0.47
▸ ACACA Q13085 1/20 0.47
▸ MMP1 P03956 2/20 0.46
▸ MMP13 P45452 2/20 0.46
▸ MMP7 P09237 1/20 0.46
▸ MMP8 P22894 1/20 0.46
▸ GCK P35557 4/20 0.43
▸ PTGS2 P35354 1/20 0.42
▸ FFAR1 O14842 1/20 0.42

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
SCHEMBL22313771 0.91 HTT (0.51) HTTSMN1; SMN2TDP1L3MBTL1GAA
SCHEMBL17247214 0.88 HTT (0.76) HTTSMN1; SMN2TDP1L3MBTL1GAA
SCHEMBL822844 0.88 HTT (0.76) HTTSMN1; SMN2TDP1L3MBTL1GAA
SCHEMBL12769542 0.88 HTT (0.76) HTTSMN1; SMN2TDP1L3MBTL1GAA
SCHEMBL16621782 0.88 HTT (0.76) HTTSMN1; SMN2TDP1L3MBTL1GAA
SCHEMBL23957972 0.88 HTT (0.76) HTTSMN1; SMN2TDP1L3MBTL1GAA
SCHEMBL19382857 0.86 ACACB (0.52) HTTSMN1; SMN2TDP1L3MBTL1GAA
SCHEMBL25841271 0.86 ACACB (0.52) HTTSMN1; SMN2TDP1L3MBTL1GAA
SCHEMBL16250471 0.84 HTT (0.61) HTTSMN1; SMN2TDP1L3MBTL1GAA
SCHEMBL20007864 0.84 PTPN5 (0.46) HTTSMN1; SMN2MMP14MMP2MMP3

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-9765176-B2 Poly(ether ketone) polymers comprising cycloaliphatic units SOLVAY SPECIALTY POLYMERS USA, LLC (US) 2017-09-19 — — US disclosed
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