SCHEMBL8741147

SCHEMBL8741147

CC[C@@H](N)C(=O)O.CNC(CC(C)C)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.53
▸ SLC1A3 P43003 5/20 0.47
▸ SLC1A2 P43004 5/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ LAP3 P28838 3/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SLC1A1 P43005 4/20 0.44
▸ MAPT P10636 1/20 0.42
▸ LTA4H P09960 1/20 0.41
▸ FOLH1 Q04609 2/20 0.40
▸ PLA2G2A P14555 2/20 0.40
▸ PLA2G5 P39877 2/20 0.40
▸ GRIK1 P39086 1/20 0.38
▸ GRIK2 Q13002 1/20 0.38

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
Leucine SCHEMBL3052691 0.89 SLC7A5 (0.69) SLC7A5SLC1A3SLC1A2ALDH1A1LAP3
Alanine SCHEMBL9439316 0.85 ALDH1A1 (0.53) SLC7A5SLC1A3SLC1A2ALDH1A1LAP3
Alanine SCHEMBL516189 0.85 ALDH1A1 (0.53) SLC7A5SLC1A3SLC1A2ALDH1A1LAP3
D-Alanine SCHEMBL3421250 0.85 ALDH1A1 (0.53) SLC7A5SLC1A3SLC1A2ALDH1A1LAP3
SCHEMBL93453 0.84 ALDH1A1 (0.61) SLC7A5ALDH1A1LAP3MEN1LMNA
SCHEMBL93452 0.84 ALDH1A1 (0.61) SLC7A5ALDH1A1LAP3MEN1LMNA
SCHEMBL93451 0.84 ALDH1A1 (0.61) SLC7A5ALDH1A1LAP3MEN1LMNA
Norleucine SCHEMBL15544530 0.83 SLC1A2 (0.50) SLC7A5SLC1A3SLC1A2ALDH1A1SLC1A1
Isoleucine SCHEMBL18705524 0.83 ALDH1A1 (0.44) SLC7A5SLC1A3SLC1A2ALDH1A1LAP3
Ammonia Solution, Strong SCHEMBL4650725 0.82 ALDH1A1 (0.59) SLC7A5ALDH1A1LAP3MEN1LMNA

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
US-5604092-A CONTACTING SERUM SAMPLE WITH DETECTABLY LABELED MONOCLONAL ANTIBODY WHICH BINDS TO HIV GAG PROTEIN, REMOVING UNBOUND ANTIBODIES, DETECTING BINDING WHICH INDICATES PRESENCE OF HIV THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1997-02-18 — — US disclosed
US-5405785-A Quantitative analysis, radioimmunoassay,; complexing cyclosporine with labeled antibody; immunosuppressants THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1995-04-11 — — US disclosed
Send feedback