SCHEMBL11566571

SCHEMBL11566571

O=C(O)CC(CC(=O)O)SSC(CC(=O)O)CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.47
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
GABRR1 P24046 2/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39
FOLH1 Q04609 2/20 0.36
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
MAPT P10636 1/20 0.35
HDAC2 Q92769 1/20 0.33
LDHA P00338 1/20 0.33
SRR Q9GZT4 1/20 0.33
ALKBH5 Q6P6C2 1/20 0.33
SUCNR1 Q9BXA5 1/20 0.33
EGLN1 Q9GZT9 1/20 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
SCHEMBL9578146 0.83 SLC22A6 (0.39) SLC22A6TDP1SMN1; SMN2GABRR1LMNA
SCHEMBL11568977 0.83 FOLH1 (0.52) SLC22A6LMNATSHRFOLH1CYP2D6
SCHEMBL8950791 0.81 GABRR1 (0.42) SLC22A6TDP1SMN1; SMN2GABRR1LMNA
SCHEMBL6258935 0.75 SLC22A6 (0.43) SLC22A6TDP1SMN1; SMN2GABRR1LMNA
SCHEMBL10960275 0.72 SLC22A6 (0.35) SLC22A6TDP1SMN1; SMN2GABRR1LMNA
SCHEMBL11641568 0.71 SLC22A6 (0.53) SLC22A6TDP1SMN1; SMN2GABRR1LMNA
SCHEMBL30689537 0.69
SCHEMBL2690498 0.69
SCHEMBL630577 0.69 TDP1 (0.48) SLC22A6TDP1SMN1; SMN2GABRR1LMNA
SCHEMBL2858121 0.69 SLC22A6 (0.43) SLC22A6TDP1SMN1; SMN2GABRR1LMNA

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-4141734-A SUBSTITUTED ORGANIC DI- OR TRISULFIDE ANTIDEPOSIT AGENTS CIBA-GEIBY AG (CH) 1979-02-27 US disclosed