SCHEMBL9304435

SCHEMBL9304435

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.65
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
LMNA P02545 2/20 0.50
ABCB11 O95342 1/20 0.50
F2 P00734 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
ALOX15 P16050 1/20 0.50
KMT2A Q03164 1/20 0.50
DUSP3 P51452 1/20 0.50
PTPN5 P54829 1/20 0.50
PTPN11 Q06124 1/20 0.50
CYP2C9 P11712 1/20 0.50
HIF1A Q16665 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.39
FOLH1 Q04609 3/20 0.37

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
SCHEMBL165643 0.80 TDP1 (1.00) TDP1LMNAMAPTSMN1; SMN2SLC22A6
SCHEMBL22151 0.80 TDP1 (1.00) TDP1LMNAMAPTSMN1; SMN2SLC22A6
SCHEMBL16925719 0.80 TDP1 (1.00) TDP1LMNAMAPTSMN1; SMN2SLC22A6
SCHEMBL17517216 0.80 TDP1 (1.00) TDP1LMNAMAPTSMN1; SMN2SLC22A6
SCHEMBL9678882 0.77 TDP1 (0.93) TDP1LMNAMAPTSMN1; SMN2SLC22A6
Hydrochloric Acid SCHEMBL8841253 0.77 TDP1 (0.93) TDP1LMNAMAPTSMN1; SMN2SLC22A6
SCHEMBL8078228 0.77 TDP1 (0.93) TDP1LMNAMAPTSMN1; SMN2SLC22A6
SCHEMBL269896 0.77 TDP1 (0.93) TDP1LMNASMN1; SMN2SLC22A6FOLH1
SCHEMBL9355977 0.77 TDP1 (0.93) TDP1LMNAMAPTSMN1; SMN2SLC22A6
SCHEMBL1318745 0.77 TDP1 (0.93) TDP1LMNAMAPTSMN1; SMN2SLC22A6

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