SCHEMBL13635791

SCHEMBL13635791

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
SLC7A5 Q01650 2/20 0.43
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
GABRR1 P24046 2/20 0.32
RNPEP Q9H4A4 1/20 0.32
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.32
ALDH1A1 P00352 1/20 0.32
THRB P10828 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL15834924 1.00 TP53 (0.44) TP53SLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL1572816 1.00 TP53 (0.44) TP53SLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL30751933 0.90 TP53 (0.42) TP53SLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL6690380 0.88 TP53 (0.40) TP53SLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL6694298 0.88 TP53 (0.40) TP53SLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL1261744 0.86 TP53 (0.50) TP53SLC7A5GABRR1RNPEPCYP1A2
SCHEMBL18211012 0.86 TP53 (0.50) TP53SLC7A5GABRR1RNPEPCYP1A2
Ammonia Solution, Strong SCHEMBL8858522 0.83 TP53 (0.47) TP53SLC7A5GABRR1RNPEPCYP1A2
Ammonia Solution, Strong SCHEMBL8858520 0.83 TP53 (0.47) TP53SLC7A5GABRR1RNPEPCYP1A2
SCHEMBL24287053 0.79 TP53 (0.38) TP53SLC7A5SLC1A3SLC1A2SLC1A1

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-2123629-A1 METHOD FOR PURIFYING 4-HYDROXYISOLEUCINE Ajinomoto Co., Inc. (JP) 2009-11-25 EP disclosed