Hydrogen Sulfide

Hydrogen Sulfide

SCHEMBL4369100

CC(C)CCCCCSCC(=O)O.CC(C)CCCCCSCC(=O)O.CCCC[Sn]CCCC.S

nearest known ligand 0.58

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GMNN O75496 1/20 0.58
TP53 P04637 1/20 0.58
POLB P06746 1/20 0.58
MAPT P10636 1/20 0.58
THRB P10828 1/20 0.58
CYP2C9 P11712 1/20 0.58
BLM P54132 1/20 0.58
HSD17B10 Q99714 1/20 0.58
CES2 O00748 3/20 0.42
CES1 P23141 5/20 0.39
FAAH O00519 4/20 0.39
PLA2G6 O60733 1/20 0.39
PTGER4 P35408 1/20 0.38
LCK P06239 1/20 0.36
PPARD Q03181 1/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
GPR84 Q9NQS5 4/20 0.35
FFAR4 Q5NUL3 1/20 0.34
ACE2 Q9BYF1 1/20 0.34

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
SCHEMBL28880907 0.99 GMNN (0.60) GMNNTP53POLBMAPTTHRB
SCHEMBL10480166 0.99 GMNN (0.60) GMNNTP53POLBMAPTTHRB
SCHEMBL8972848 0.94 GMNN (0.63) GMNNTP53POLBMAPTTHRB
SCHEMBL9715517 0.87 GMNN (0.57) GMNNTP53POLBMAPTTHRB
SCHEMBL1717047 0.84 CES2 (0.41) GMNNTP53POLBMAPTTHRB
SCHEMBL11310516 0.84 BLM (0.62) GMNNTP53POLBMAPTTHRB
SCHEMBL3475667 0.84 BLM (0.62) GMNNTP53POLBMAPTTHRB
Hydrogen Sulfide SCHEMBL6129208 0.84 GMNN (0.60) GMNNTP53POLBMAPTTHRB
Hydrochloric Acid SCHEMBL10427727 0.83 BLM (0.60) GMNNTP53POLBMAPTTHRB
SCHEMBL10792282 0.82 GMNN (0.62) GMNNTP53POLBMAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090308001-A1 Substrate and the application Wu, Shaobing (US) 2009-12-17 US disclosed
EP-0850987-A1 Improved PVC foam compositions MORTON INTERNATIONAL, INC. (US) 1998-07-01 EP disclosed
US-3953385-A VINYL CHLORIDE POLYMER, BLOWING AGENT, DIORGANOTIN MERCAPTIDE M&T CHEMICALS INC. (US) 1976-04-27 US disclosed