Hydrogen Sulfide

Hydrogen Sulfide

SCHEMBL11546403

O=C(O)CC(SC(CC(=O)O)C(=O)O)C(=O)O.S

nearest known ligand 0.46

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Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
CPB1 P15086 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.41
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
APOBEC3G Q9HC16 1/20 0.39
FOLH1 Q04609 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 1/20 0.36
GABRR1 P24046 2/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL10729283 0.97 TDP1 (0.48) TDP1CPB1SMN1; SMN2POLBNPSR1
SCHEMBL8416807 0.85 POLB (0.39) TDP1CPB1SMN1; SMN2POLBNPSR1
SCHEMBL11940979 0.82 TDP1 (0.40) TDP1CPB1SMN1; SMN2POLBNPSR1
SCHEMBL8419049 0.82 TDP1 (0.43) TDP1CPB1SMN1; SMN2POLBNPSR1
SCHEMBL27959737 0.80 SMN1; SMN2 (0.42) TDP1CPB1SMN1; SMN2POLBNPSR1
SCHEMBL1900380 0.80 CPB1 (0.39) TDP1CPB1SMN1; SMN2POLBNPSR1
SCHEMBL630577 0.80 TDP1 (0.48) TDP1CPB1SMN1; SMN2POLBNPSR1
Ammonia Solution, Strong SCHEMBL2546319 0.79 TDP1 (0.42) TDP1CPB1SMN1; SMN2POLBNPSR1
SCHEMBL27872253 0.79 CPB1 (0.38) TDP1CPB1SMN1; SMN2POLBNPSR1
SCHEMBL7720554 0.78 TDP1 (0.46) TDP1CPB1SMN1; SMN2POLBNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4172207-A Process for mercaptoalkanedicarboxylic acid esters MACK GERRY P 1979-10-23 US disclosed