Valine

Valine

SCHEMBL10559201

CC(C)[C@H](N)C(=O)O.O=C1c2ccccc2C(=O)N1O

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.50
LMNA P02545 1/20 0.45
TP53 P04637 2/20 0.43
ELANE P08246 1/20 0.42
POLB P06746 3/20 0.41
ALDH1A1 P00352 4/20 0.41
ERCC1 P07992 1/20 0.41
FEN1 P39748 1/20 0.41
ERCC4 Q92889 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
NFKB1 P19838 1/20 0.40
APEX1 P27695 1/20 0.40
MAPK1 P28482 1/20 0.40

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
Anthraquinone SCHEMBL27983859 0.84 SLC7A5 (0.60) SLC7A5LMNAELANEPOLBALDH1A1
Anthraquinone SCHEMBL3654040 0.84 SLC7A5 (0.60) SLC7A5LMNAELANEPOLBALDH1A1
Phthalic Anhydride SCHEMBL8525072 0.79 SLC7A5 (0.54) SLC7A5LMNAELANEPOLBALDH1A1
Valine SCHEMBL3709487 0.78 SLC7A5 (0.62) SLC7A5LMNAKMT2ACYP2D6ALOX12
SCHEMBL28557949 0.78 LMNA (0.54) LMNATP53POLBALDH1A1GAA
Phthalimide SCHEMBL2319609 0.78 GSK3B (0.52) SLC7A5LMNAALDH1A1GAAKMT2A
Acetic Acid SCHEMBL2369439 0.78 ERCC1 (0.52) LMNAPOLBALDH1A1ERCC1FEN1
SCHEMBL27568592 0.77 LMNA (0.45) LMNATP53POLBALDH1A1ERCC1
Biphenyl SCHEMBL2494151 0.76 SLC7A5 (0.65) SLC7A5GAA
Acetic Acid SCHEMBL28464649 0.76 ERCC1 (0.50) LMNAPOLBALDH1A1ERCC1FEN1

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-4804684-A ANTICONVULSANTS, ANALGESICS PANMEDICA S.A. (FR) 1989-02-14 US disclosed