SCHEMBL7591996

SCHEMBL7591996

O=C(O)C(CS)CC(O)CO

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
FOLH1 Q04609 2/20 0.45
CPB2 Q96IY4 5/20 0.42
CPN1 P15169 3/20 0.40
SLC1A1 P43005 1/20 0.40
CPA3 P15088 1/20 0.39
OR51E2 Q9H255 1/20 0.39
ENPEP Q07075 1/20 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
Ammonia Solution, Strong SCHEMBL8998366 0.83 SLC1A1 (0.44) LMNAFOLH1SLC1A1OR51E2
SCHEMBL28543838 0.83 SLC1A1 (0.56) LMNAFOLH1SLC1A1OR51E2
SCHEMBL901916 0.78
SCHEMBL5694983 0.77 SLC1A1 (0.54) LMNASLC1A1OR51E2
SCHEMBL632316 0.77 FOLH1 (0.48) LMNAFOLH1CPB2SLC1A1CPA3
Monothioglycerol SCHEMBL812749 0.76 LMNA (0.65) LMNAFOLH1OR51E2ENPEP
SCHEMBL350816 0.74
SCHEMBL28661280 0.74 CHRM1 (0.60) SLC1A1OR51E2
SCHEMBL27753510 0.74 MME (0.40) LMNAFOLH1SLC1A1OR51E2
Monothioglycerol SCHEMBL7786564 0.73 LMNA (0.68) LMNAOR51E2ENPEP

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-20020132965-A1 Stabilized monoaspartic acid esters and polyaspartic acid esters COVESTRO DEUTSCHLAND AG (DE) 2002-09-19 US disclosed