Valine

Valine

SCHEMBL9675573

CC(C)[C@H](N)C(=O)O.C[C@H](Nc1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 3/20 0.47
SLC1A2 P43004 3/20 0.47
SLC1A1 P43005 3/20 0.47
RAB9A P51151 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 1/20 0.46
NPC1 O15118 4/20 0.44
MAPT P10636 3/20 0.44
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 2/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SLC7A5 Q01650 1/20 0.42
CYP1A2 P05177 3/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL43518 0.90 RAB9A (0.54) SLC1A3SLC1A2SLC1A1RAB9ASMN1; SMN2
SCHEMBL29350028 0.90 RAB9A (0.54) SLC1A3SLC1A2SLC1A1RAB9ASMN1; SMN2
SCHEMBL29478375 0.90 RAB9A (0.54) SLC1A3SLC1A2SLC1A1RAB9ASMN1; SMN2
SCHEMBL288854 0.90 RAB9A (0.54) SLC1A3SLC1A2SLC1A1RAB9ASMN1; SMN2
SCHEMBL43517 0.90 RAB9A (0.54) SLC1A3SLC1A2SLC1A1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL2351803 0.88 RAB9A (0.53) SLC1A3SLC1A2SLC1A1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL2351807 0.88 RAB9A (0.53) SLC1A3SLC1A2SLC1A1RAB9ASMN1; SMN2
SCHEMBL29928621 0.85 RAB9A (0.49) SLC1A3SLC1A2SLC1A1RAB9ASMN1; SMN2
SCHEMBL1021968 0.85 RAB9A (0.49) SLC1A3SLC1A2SLC1A1RAB9ASMN1; SMN2
SCHEMBL8624223 0.85 RAB9A (0.49) SLC1A3SLC1A2SLC1A1RAB9ASMN1; SMN2

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-0482966-A2 Stabilised derivatives of fragments of hirudin, their preparation and pharmaceutical preparations ADIR ET COMPAGNIE (FR) 1992-04-29 EP claimed