Hydrogen Sulfide

Hydrogen Sulfide

SCHEMBL28099748

CCCCC(=O)C(C)(O)C(=O)O.S

nearest known ligand 0.43

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.43
CES1 P23141 6/20 0.42
CES2 O00748 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP1A2 P05177 1/20 0.42
ALDH1A1 P00352 3/20 0.39
AKR1B1 P15121 1/20 0.39
TP53 P04637 1/20 0.39
PPARG P37231 4/20 0.38
PPARD Q03181 4/20 0.38
PPARA Q07869 4/20 0.38
TSHR P16473 3/20 0.38
GPR84 Q9NQS5 3/20 0.38
HDAC11 Q96DB2 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
SLC22A8 Q8TCC7 1/20 0.38
TLR2 O60603 1/20 0.38

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
SCHEMBL27492133 0.98 FAAH (0.45) FAAHCES1CES2MEN1KMT2A
SCHEMBL29487300 0.91 FAAH (0.54) FAAHCES1CES2MEN1KMT2A
SCHEMBL2256117 0.89 FAAH (0.55) FAAHCES1CES2MEN1KMT2A
SCHEMBL1434843 0.89 FAAH (0.55) FAAHCES1CES2MEN1KMT2A
SCHEMBL1716124 0.89 FAAH (0.55) FAAHCES1CES2MEN1KMT2A
SCHEMBL8601964 0.89 FAAH (0.55) FAAHCES1CES2MEN1KMT2A
SCHEMBL2258518 0.89 FAAH (0.55) FAAHCES1CES2MEN1KMT2A
SCHEMBL457471 0.89 FAAH (0.55) FAAHCES1CES2MEN1KMT2A
SCHEMBL3630718 0.88 FAAH (0.53) FAAHCES1CES2MEN1KMT2A
Calcium SCHEMBL29416862 0.88 FAAH (0.53) FAAHCES1CES2MEN1KMT2A

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
CN-106172876-A For giving powdered oil compositions and the adding method thereof of breast local flavor 长谷川香料株式会社 2016-12-07 CN disclosed
CN-104093695-B Capric acid derivatives and perfume compositions 长谷川香料株式会社 2016-08-31 CN disclosed