SCHEMBL21409504

SCHEMBL21409504

O=[SH](=O)c1ccc(OCC2CS2)cc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 16/20 0.35
MMP9 P14780 16/20 0.35
MMP14 P50281 9/20 0.35
MMP3 P08254 6/20 0.35
MMP7 P09237 5/20 0.33
MMP8 P22894 4/20 0.33
MMP1 P03956 3/20 0.33
PARP15 Q460N3 3/20 0.33
PARP10 Q53GL7 3/20 0.33
PARP2 Q9UGN5 2/20 0.33
ADAM17 P78536 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL1402756 0.84 MMP2 (0.39) MMP2MMP9MMP14MMP3MMP7
SCHEMBL1402783 0.79 FFAR4 (0.38) MMP2MMP9MMP14MMP3PARP15
SCHEMBL11849761 0.76 LTA4H (0.45)
SCHEMBL21409497 0.76 MMP2 (0.35) MMP2MMP9MMP14MMP3MMP7
SCHEMBL1402613 0.76 LTA4H (0.44)
SCHEMBL2734738 0.76 DRD2 (0.40) MMP2MMP9MMP14MMP3ALDH1A1
SCHEMBL24452510 0.75 ALDH1A1 (0.60) ALDH1A1LMNAGAAPKM
SCHEMBL1402785 0.75 PKM (0.60) MMP2MMP9MMP14MMP3MMP7
SCHEMBL2734453 0.75 TDP1 (0.53) MMP2MMP9MMP14MMP3MMP7
SCHEMBL1403018 0.74 SMN1; SMN2 (0.35) MMP2MMP9MMP14MMP3MMP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107428040-B Method for manufacturing plastic lens, method for positioning film, and composite body 株式会社HOPNIC研究所 2022-05-31 CN disclosed
CN-112469768-A Method for setting polymerization conditions and method for producing optical material 三井化学株式会社 2021-03-09 CN disclosed
CN-111868099-A Method for setting polymerization conditions and method for producing optical material 三井化学株式会社 2020-10-30 CN disclosed
WO-2020022369-A1 METHOD FOR SETTING POLYMERIZATION CONDITIONS AND METHOD FOR PRODUCING OPTICAL MATERIAL 三井化学株式会社 2020-01-30 WO disclosed
WO-2019187176-A1 METHOD FOR SETTING POLYMERIZATION CONDITIONS AND METHOD FOR PRODUCING OPTICAL MATERIAL 三井化学株式会社 2019-10-03 WO disclosed
CN-102089346-B Composition, polymerizable composition, resin, optical member, and method for producing composition MITSUI CHEMICALS INC 2013-07-31 CN disclosed
CN-102089346-A Composition, polymerizable composition, resin, optical member, and method for producing composition MITSUI CHEMICALS INC 2011-06-08 CN disclosed
CN-101443413-A Polymerizable composition, resin using the same, optical component and lens MITSUI CHEMICALS INC (JP) 2009-05-27 CN disclosed
CN-101400722-A Polymerizable composition, resin using the same and optical component MITSUI CHEMICALS INC (JP) 2009-04-01 CN disclosed
CN-1286883-C Polymerizable composition containing novel cyclic sulfur compound and resin obtained by curing the polymerizable composition MITSUI CHEMICALS INC (JP) 2006-11-29 CN disclosed
CN-1596276-A Polymerizable composition comprising novel sulfur-containing cyclic compound and resin obtained by curing the polymerizable composition MITSUI CHEMICALS INC (JP) 2005-03-16 CN disclosed