Hydrogen Sulfide

Hydrogen Sulfide

SCHEMBL28111724

O=C(SSC(=O)c1ccccc1)c1ccccc1.S

nearest known ligand 0.52

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.52
CES2 O00748 5/20 0.52
TSHR P16473 3/20 0.52
ALDH1A1 P00352 3/20 0.52
DAO P14920 1/20 0.52
NAPRT Q6XQN6 1/20 0.52
TDP1 Q9NUW8 4/20 0.48
CYP3A4 P08684 2/20 0.48
MAPT P10636 2/20 0.48
CA2 P00918 2/20 0.48
CA4 P22748 2/20 0.48
HSD17B10 Q99714 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA9 Q16790 2/20 0.48
POLB P06746 1/20 0.48
PARP1 P09874 1/20 0.48
CYP2C19 P33261 1/20 0.48
RECQL P46063 1/20 0.48

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
SCHEMBL168007 0.97 CES1 (0.55) CES1CES2TSHRALDH1A1DAO
Hydrochloric Acid SCHEMBL28496848 0.94 CES1 (0.52) CES1CES2TSHRALDH1A1DAO
Water SCHEMBL27612226 0.94 CES1 (0.52) CES1CES2TSHRALDH1A1DAO
SCHEMBL312084 0.86 CES1 (0.50) CES1CES2TSHRALDH1A1DAO
SCHEMBL11623306 0.85 CES1 (0.48) CES1CES2TSHRALDH1A1DAO
SCHEMBL8494639 0.82 CA2 (0.48) CES1CES2TSHRALDH1A1DAO
SCHEMBL11742945 0.82 CES1 (0.46) CES1CES2TSHRALDH1A1DAO
SCHEMBL5031044 0.82 KMT2A (0.47) CES1CES2TSHRALDH1A1DAO
SCHEMBL11621561 0.80 HPGD (0.48) CES1CES2TSHRALDH1A1DAO
SCHEMBL31543778 0.80 AKT1 (0.52) CES1CES2TSHRALDH1A1DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106062098-B Active energy ray-curable flexographic ink composition and its printed article 东洋油墨SC控股株式会社 2019-10-01 CN disclosed
CN-106414619-B Food and medical encapsulation curable with actinic energy ray are coated with varnish and use its printed article 东洋油墨SC控股株式会社 2018-09-28 CN disclosed
CN-106414619-A Active energy ray-curable coating varnish, and printed matter using same 东洋油墨SC控股株式会社 2017-02-15 CN disclosed
CN-106062098-A Actinic-ray-curable offset ink composition and print obtained therewith 东洋油墨SC控股株式会社 2016-10-26 CN disclosed