SCHEMBL8943734

SCHEMBL8943734

O=C(O)CC(S)CC(Cl)(Cl)Cl

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
GABRR1 P24046 2/20 0.31
LMNA P02545 1/20 0.31
FOLH1 Q04609 1/20 0.30

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
SCHEMBL2811956 0.76 SLC22A6 (0.50) SLC22A6TDP1SMN1; SMN2GABRR1LMNA
SCHEMBL6740877 0.73 SLC22A6 (0.47) SLC22A6TDP1SMN1; SMN2GABRR1LMNA
SCHEMBL17998003 0.73 SLC22A6 (0.33) SLC22A6TDP1SMN1; SMN2
SCHEMBL17998005 0.73 SLC22A6 (0.33) SLC22A6TDP1SMN1; SMN2
SCHEMBL9958764 0.73 SLC22A6 (0.33) SLC22A6TDP1SMN1; SMN2
Hydrochloric Acid SCHEMBL11490820 0.71 SMN1; SMN2 (0.39) SLC22A6TDP1SMN1; SMN2GABRR1LMNA
SCHEMBL17998007 0.71 TDP1 (0.32) SLC22A6TDP1SMN1; SMN2LMNA
SCHEMBL22338611 0.71 SLC22A6 (0.45) SLC22A6TDP1SMN1; SMN2GABRR1LMNA
SCHEMBL16581465 0.70 SLC22A6 (0.31) SLC22A6TDP1FOLH1
SCHEMBL6667904 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-5587475-A HAVING FUNCTIONALIZED SIDE CHAIN CONTAINING THIOETHER LINKAGE AND REACTIVE CARBOXYLATE GROUP UNIVERSITY OF NOTRE DAME (US) 1996-12-24 US disclosed