Hydrogen Sulfide

Hydrogen Sulfide

SCHEMBL28414616

CC(C)(C)CC(C)(C)c1cc[c]cc1.S.[BaH2]

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.52
CYP3A4 P08684 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
HIF1A Q16665 3/20 0.37
CYP2D6 P10635 2/20 0.37
LMNA P02545 3/20 0.33
MEN1 O00255 3/20 0.33
USP2 O75604 3/20 0.33
TP53 P04637 3/20 0.33
MAPT P10636 3/20 0.33
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 3/20 0.33
KMT2A Q03164 3/20 0.33
KCNH2 Q12809 3/20 0.33
APAF1 O14727 2/20 0.33
ALDH1A1 P00352 2/20 0.33
ERBB2 P04626 2/20 0.33
FYN P06241 2/20 0.33
CHRM2 P08172 2/20 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
SCHEMBL236446 0.96 SHBG (0.56) SHBGCYP3A4SMN1; SMN2HIF1ACYP2D6
SCHEMBL8371758 0.85 SHBG (0.45) SHBGCYP3A4SMN1; SMN2TAAR1
SCHEMBL15266429 0.77 SHBG (0.36) SHBGCYP3A4SMN1; SMN2MAPTTAAR1
SCHEMBL578291 0.75 NPC1 (0.44) SMN1; SMN2LMNAMAPTHRH3TAAR1
Water SCHEMBL28217447 0.75 SHBG (0.58) SHBGCYP3A4SMN1; SMN2HIF1ACYP2D6
SCHEMBL10650836 0.74 CYP3A4 (0.54) SHBGCYP3A4SMN1; SMN2HIF1ACYP2D6
SCHEMBL3596579 0.73 TAAR1 (0.60) SHBGMAPTESR1TAAR1
SCHEMBL21684968 0.73 TAAR1 (0.33) SHBGESR1TAAR1
SCHEMBL1032610 0.73 TAAR1 (0.33) SHBGESR1TAAR1
SCHEMBL16035570 0.73 TAAR1 (0.33) SHBGESR1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115287111-B Ether-based lubricant compositions, methods and uses 卡斯特罗尔有限公司 2024-01-05 CN disclosed
CN-116716134-A Lubricant composition 卡斯特罗尔有限公司 2023-09-08 CN disclosed
CN-115895763-A Ether-based lubricant compositions, methods and uses 卡斯特罗尔有限公司 2023-04-04 CN disclosed
CN-110462010-B Ether-based lubricant compositions, methods and uses 卡斯特罗尔有限公司 2023-01-10 CN disclosed
CN-115287111-A Ether-based lubricant compositions, methods and uses 卡斯特罗尔有限公司 2022-11-04 CN disclosed
CN-110462011-B Ether-based lubricant compositions, methods and uses 卡斯特罗尔有限公司 2022-05-13 CN disclosed
CN-113272269-A Process for preparing ethers via enol ethers 英国石油有限公司 2021-08-17 CN disclosed
CN-112105709-A Lubricant composition 卡斯特罗尔有限公司 2020-12-18 CN disclosed
CN-111511710-A Selective acetalation/etherification process 英国石油有限公司 2020-08-07 CN disclosed
CN-111315714-A Etherification process 英国石油有限公司 2020-06-19 CN disclosed