SCHEMBL11003286

SCHEMBL11003286

NC(=S)SCC=CC(=O)O.[Na].[Na]

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
GABRR1 P24046 2/20 0.43
GABRR2 P28476 2/20 0.43
BLM P54132 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
GABRR3 A8MPY1 1/20 0.43
LMNA P02545 1/20 0.43
APEX1 P27695 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP1A2 P05177 2/20 0.42
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TP53 P04637 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
EGLN3 Q9H6Z9 1/20 0.32

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
SCHEMBL10775603 0.98 TSHR (0.44) TSHRGABRR1GABRR2BLMTDP1
SCHEMBL10818186 0.77 TSHR (0.39) TSHRGABRR1GABRR2BLMTDP1
SCHEMBL3424768 0.70
SCHEMBL11498408 0.70
SCHEMBL7856299 0.69 TSHR (0.50) TSHRGABRR1GABRR2BLMTDP1
SCHEMBL9687847 0.69
SCHEMBL10554491 0.66
SCHEMBL7887378 0.66
Fumaric Acid SCHEMBL5691367 0.66 TSHR (0.64) TSHRGABRR1GABRR2BLMTDP1
Maleic Acid SCHEMBL5691352 0.66 TSHR (0.64) TSHRGABRR1GABRR2BLMTDP1

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-4554108-A Alkali carboxyalkyl dithiocarbamates and use as ore flotation reagents PHILLIPS PETROLEUM COMPANY (US) 1985-11-19 US claimed