SCHEMBL8385324

SCHEMBL8385324

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 9/20 0.56
▸ CPA1 P15085 2/20 0.38
▸ CPB1 P15086 1/20 0.38
▸ CPA3 P15088 1/20 0.38
▸ CPB2 Q96IY4 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CHRM1 P11229 1/20 0.34
▸ AKR1A1 P14550 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ HRH1 P35367 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ SLC22A6 Q4U2R8 1/20 0.33
▸ GRM3 Q14832 2/20 0.31

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
SCHEMBL8389180 0.80 FOLH1 (0.58) FOLH1CPA1CPB1CPA3CPB2
SCHEMBL17669226 0.78 FOLH1 (0.56) FOLH1CPA1CPB1CPA3CPB2
SCHEMBL21802279 0.78 FOLH1 (0.75) FOLH1CPA1CPB1CPA3CPB2
SCHEMBL164322 0.78 FOLH1 (0.75) FOLH1CPA1CPB1CPA3CPB2
SCHEMBL1502606 0.75 FOLH1 (0.52) FOLH1CPA1CPB1CPA3CPB2
SCHEMBL7362116 0.74 S1PR2 (0.37) TDP1SLC6A3SLC22A6GRM3
SCHEMBL29217 0.74 FOLH1 (0.68) FOLH1CPA1CPB1CPA3CPB2
Tricarballylic Acid SCHEMBL34866 0.72 FOLH1 (0.65) FOLH1CPA1CPB1CPA3CPB2
Tricarballylic Acid SCHEMBL1821947 0.72 FOLH1 (0.65) FOLH1CPA1CPB1CPA3CPB2
SCHEMBL28916883 0.72 FOLH1 (0.48) FOLH1CPA1CPB1CPA3CPB2

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-0909755-A1 Thio-/mercapto-derivatives and use as antioxidant additives EXXON RESEARCH AND ENGINEERING COMPANY (US) 1999-04-21 — — EP disclosed
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