SCHEMBL9304585

SCHEMBL9304585

O=C(O)C(S)C(CO)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.53
HPGD P15428 2/20 0.53
HSD17B10 Q99714 2/20 0.53
ABCB11 O95342 1/20 0.53
F2 P00734 1/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
ALOX15 P16050 1/20 0.53
KMT2A Q03164 1/20 0.53
DUSP3 P51452 1/20 0.53
PTPN5 P54829 1/20 0.53
PTPN11 Q06124 1/20 0.53
LMNA P02545 1/20 0.53
CYP2C9 P11712 1/20 0.53
HIF1A Q16665 1/20 0.53
OR51E2 Q9H255 1/20 0.39
RNPEP Q9H4A4 3/20 0.33
FOLH1 Q04609 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
SCHEMBL3901335 0.78 TDP1 (0.50) TDP1HPGDHSD17B10ABCB11F2
SCHEMBL9304435 0.76 TDP1 (0.65) TDP1HPGDHSD17B10ABCB11F2
SCHEMBL9305795 0.76 TDP1 (0.50) TDP1HPGDHSD17B10ABCB11F2
SCHEMBL9307586 0.76 TDP1 (0.50) TDP1HPGDHSD17B10ABCB11F2
SCHEMBL15143831 0.74
Succimer SCHEMBL28045209 0.73 TDP1 (0.73) TDP1HPGDHSD17B10ABCB11F2
Succimer SCHEMBL14942 0.71 ALDH1A1 (1.00) TDP1HPGDHSD17B10ABCB11F2
Succimer SCHEMBL28577215 0.71 ALDH1A1 (1.00) TDP1HPGDHSD17B10ABCB11F2
Succimer SCHEMBL14941 0.71 ALDH1A1 (1.00) TDP1HPGDHSD17B10ABCB11F2
Succimer SCHEMBL28566852 0.71 ALDH1A1 (1.00) TDP1HPGDHSD17B10ABCB11F2

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
US-5347008-A Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents CIBA-GEIGY CORPORATION (US) 1994-09-13 US disclosed
US-5152929-A Corrosion inhibitors for water systems CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed