SCHEMBL8596279

SCHEMBL8596279

C=CCC(C(=O)O)C(O)C(O)=S

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.37
GRIK2 Q13002 2/20 0.37
CYP2C19 P33261 1/20 0.36
CPA1 P15085 1/20 0.36
TDP1 Q9NUW8 1/20 0.31
TSHR P16473 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL7421629 0.85 TSHR (0.41) GRIK1GRIK2CYP2C19CPA1TDP1
SCHEMBL1865400 0.85 TSHR (0.41) GRIK1GRIK2CYP2C19CPA1TDP1
SCHEMBL3876359 0.85 TSHR (0.41) GRIK1GRIK2CYP2C19CPA1TDP1
SCHEMBL1133379 0.79 GRIK1 (0.46) GRIK1GRIK2CYP2C19CPA1TDP1
SCHEMBL2361609 0.75 GRIK1 (0.34) GRIK1GRIK2CYP2C19CPA1TSHR
SCHEMBL23688391 0.74 GRIK1 (0.39) GRIK1GRIK2CYP2C19CPA1TDP1
SCHEMBL6530502 0.74 GRIK1 (0.39) GRIK1GRIK2CYP2C19CPA1TDP1
SCHEMBL8017237 0.74 GRIK1 (0.39) GRIK1GRIK2CYP2C19CPA1TDP1
SCHEMBL6530499 0.74 GRIK1 (0.39) GRIK1GRIK2CYP2C19CPA1TDP1
SCHEMBL8020514 0.74 GRIK1 (0.39) GRIK1GRIK2CYP2C19CPA1TDP1

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
EP-0628539-B1 Polyepoxysuccinic acid derivatives and their use for the control of scale formation and corrosion in aqueous systems BETZ EUROP INC (US) 1999-08-11 EP disclosed