SCHEMBL7643526

SCHEMBL7643526

CC(C)[C@H](N)C(=O)P(=O)(O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 3/20 0.52
SLC7A5 Q01650 1/20 0.48
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
CA9 Q16790 1/20 0.37
ANPEP P15144 3/20 0.36
ERAP1 Q9NZ08 1/20 0.36
DPP4 P27487 1/20 0.35
FAP Q12884 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
FDPS P14324 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL7643520 1.00 LAP3 (0.52) LAP3SLC7A5CA12CA1CA2
SCHEMBL28434433 0.78
SCHEMBL28434436 0.78
SCHEMBL30547467 0.77 SLC7A5 (0.46) LAP3SLC7A5ANPEPERAP1DPP4
SCHEMBL2990208 0.75 MMP2 (0.42) LAP3CA12CA1CA2MMP1
Valine SCHEMBL29415345 0.74 SLC7A5 (0.79) LAP3SLC7A5ANPEP
Valine SCHEMBL1758770 0.74 SLC7A5 (0.79) LAP3SLC7A5ANPEP
Valine SCHEMBL16010343 0.74 SLC7A5 (0.79) LAP3SLC7A5ANPEP
Valine SCHEMBL1758768 0.74 SLC7A5 (0.79) LAP3SLC7A5ANPEP
SCHEMBL8383247 0.74 MMP2 (0.46) LAP3CA12CA1CA2MMP1

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-6465189-B1 PARTITIONING AND REPLICATING INCREASED AFFINITY BLENDED NUCLEIC ACIDS; DEVELOPMENT OF ELASTASE INHIBITORS; MEDICAL DIAGNOSIS OF RESPIRATORY SYSTEM, GENETIC, AND RHEUMATIC DISORDERS GILEAD SCIENCES, INC. 2002-10-15 US disclosed