SCHEMBL9618591

SCHEMBL9618591

O=C(O)C[C@H](NC(=S)Nc1ccccc1)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.73
CA1 P00915 10/20 0.68
CA2 P00918 10/20 0.68
KMT2A Q03164 1/20 0.65
MAPT P10636 1/20 0.64
LMNA P02545 2/20 0.56
HPGD P15428 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ABAT P80404 1/20 0.54
ALDH1A1 P00352 4/20 0.51
RAB9A P51151 1/20 0.50
CYP3A4 P08684 1/20 0.50
TAS2R38 P59533 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL9618589 1.00 GAA (0.73) GAACA1CA2KMT2AMAPT
SCHEMBL12002481 0.85 GAA (0.70) GAACA1CA2KMT2ALMNA
SCHEMBL12002482 0.85 GAA (0.70) GAACA1CA2KMT2ALMNA
SCHEMBL24064906 0.84 CA1 (0.58) GAACA1CA2KMT2AMAPT
SCHEMBL9056129 0.83 FPR2 (0.56) GAAMAPTSMN1; SMN2HSD17B10
SCHEMBL18277722 0.83 FPR2 (0.56) GAAMAPTSMN1; SMN2HSD17B10
SCHEMBL12002557 0.83 CA1 (0.74) GAACA1CA2KMT2ALMNA
SCHEMBL12002558 0.83 CA1 (0.74) GAACA1CA2KMT2ALMNA
SCHEMBL9500748 0.81 CA1 (0.70) GAACA1CA2KMT2ALMNA
SCHEMBL9500733 0.81 CA1 (0.70) GAACA1CA2KMT2ALMNA

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
JP-4310862-A None JP disclosed
JP-H04310862-A METHOD FOR DETECTING AMINO ACID DERIVATIVE WITH HIGH SENSITIVITY SEIKO INSTR INC 1992-11-02 JP disclosed