SCHEMBL9102983

SCHEMBL9102983

CCCCCCCCCCCCCCOc1ccc(C=Cc2ccc(S(=O)(=O)CCCCCCCCO)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.54
AHR P35869 1/20 0.48
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
CA2 P00918 2/20 0.46
TSHR P16473 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
MAOA P21397 3/20 0.46
MAOB P27338 3/20 0.46
NR5A1 Q13285 1/20 0.44
TP53 P04637 1/20 0.44
ALB P02768 1/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
MMP3 P08254 1/20 0.43
PTPN1 P18031 1/20 0.43
PLA2G4B P0C869 1/20 0.43

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
SCHEMBL9101797 1.00 MMP1 (0.54) MMP1AHRPTGS1PTGS2CA2
SCHEMBL9102183 1.00 MMP1 (0.54) MMP1AHRPTGS1PTGS2CA2
SCHEMBL9100253 1.00 MMP1 (0.54) MMP1AHRPTGS1PTGS2CA2
SCHEMBL9101915 1.00 MMP1 (0.54) MMP1AHRPTGS1PTGS2CA2
SCHEMBL9099791 1.00 MMP1 (0.54) MMP1AHRPTGS1PTGS2CA2
SCHEMBL9102172 1.00 MMP1 (0.54) MMP1AHRPTGS1PTGS2CA2
SCHEMBL9104241 1.00 MMP1 (0.54) MMP1AHRPTGS1PTGS2CA2
SCHEMBL9098495 1.00 MMP1 (0.54) MMP1AHRPTGS1PTGS2CA2
SCHEMBL9098754 1.00 MMP1 (0.54) MMP1AHRPTGS1PTGS2CA2
SCHEMBL9102053 1.00 MMP1 (0.54) MMP1AHRPTGS1PTGS2CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5517350-A Optical component based on Langmuir-Blodgett layers HOECHST AKTIENGESELLSCHAFT (DE) 1996-05-14 US disclosed
EP-0596325-A1 Optical element with Langmuir-Blodgett layers HOECHST AKTIENGESELLSCHAFT (DE) 1994-05-11 EP disclosed