SCHEMBL6367290

SCHEMBL6367290

CCOCCOc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 2/20 0.51
THRA P10827 1/20 0.49
CA12 O43570 4/20 0.49
CA1 P00915 4/20 0.49
CA2 P00918 4/20 0.49
CA9 Q16790 4/20 0.49
CA7 P43166 3/20 0.49
TSHR P16473 2/20 0.49
MMP9 P14780 1/20 0.46
ADAM17 P78536 1/20 0.46
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PTPN1 P18031 1/20 0.43
ACACB O00763 1/20 0.42
CYP1A2 P05177 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
SCHEMBL6363396 0.98 MMP3 (0.50) MMP3THRACA12CA1CA2
SCHEMBL12743793 0.87 CA12 (0.50) CA12CA1CA2CA9CA7
SCHEMBL4059980 0.86 GAA (0.54) MMP3THRACA12CA1CA2
SCHEMBL6362012 0.85 AOC2 (0.48) MMP3CA12CA1CA2CA9
SCHEMBL29771215 0.84 CA12 (0.50) MMP3THRACA12CA1CA2
SCHEMBL16376096 0.84 CA12 (0.68) CA12CA1CA2CA9CA7
SCHEMBL4527668 0.84 CA12 (0.68) CA12CA1CA2CA9CA7
SCHEMBL14059017 0.84 NCF1 (0.49) MMP3THRATSHRMAPK1L3MBTL1
SCHEMBL755720 0.83 CA12 (0.66) CA12CA1CA2CA9CA7
SCHEMBL1108093 0.83 TSHR (0.54) CA12CA1CA2CA9CA7

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-20050032646-A1 Agents for the regulation of gametophytic self-incompatibility and a control method for the breakdown of gametophytic self-incompatibility using the agents BICBIO CO. LTD. (KR) 2005-02-10 US disclosed
WO-2004036997-A1 AGENTS FOR THE REGULATION OF GAMETOPHYTIC SELF-INCOMPATIBILITY AND A CONTROL METHOD FOR THE BREAKDOWN OF GAMETOPHYTIC SELF-INCOMPATIBILITY USING THE AGENTS BICBIO CO., LTD (KR) 2004-05-06 WO disclosed