SCHEMBL6362012

SCHEMBL6362012

COCCOCCOc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC2 O75106 1/20 0.48
RECQL P46063 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
TSHR P16473 2/20 0.44
MAPT P10636 1/20 0.42
MMP2 P08253 5/20 0.42
MMP3 P08254 5/20 0.42
MMP13 P45452 4/20 0.42
MMP1 P03956 4/20 0.42
MMP7 P09237 3/20 0.41
CHEK1 O14757 1/20 0.41
LIMK2 P53671 1/20 0.40
MAPK1 P28482 1/20 0.40
RARB P10826 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL6363118 0.95 CA12 (0.47) AOC2RECQLCA12CA1CA2
SCHEMBL6363396 0.87 MMP3 (0.50) RECQLKDM4ECA12CA1CA2
SCHEMBL12743793 0.86 CA12 (0.50) RECQLCA12CA1CA2CA7
SCHEMBL6367290 0.85 MMP3 (0.51) RECQLCA12CA1CA2CA7
SCHEMBL9293152 0.85 APP (0.51) RECQLKDM4ECA12CA1CA2
SCHEMBL12194874 0.85 KDM4E (0.47) AOC2RECQLKDM4ECA12CA1
SCHEMBL23536326 0.83 KDM4E (0.46) AOC2RECQLKDM4ECA12CA1
SCHEMBL7262441 0.83 CA12 (0.44) AOC2CA12CA1CA2CA7
SCHEMBL8837953 0.83 APP (0.50) RECQLKDM4ECA12CA1CA2
SCHEMBL29948540 0.83 CA1 (0.65) CA12CA1CA2CA7CA9

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-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