Valine

Valine

SCHEMBL4155382

C=Cc1ccccc1C=C.CC(C)[C@H](N)C(=O)O

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.54
SLC1A2 P43004 4/20 0.40
SLC1A3 P43003 3/20 0.40
SLC1A1 P43005 3/20 0.40
LMNA P02545 4/20 0.38
MAPT P10636 1/20 0.38
XBP1 P17861 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SLC15A1 P46059 1/20 0.38
NR1I2 O75469 1/20 0.38
PTGS1 P23219 1/20 0.38
ADRA1A P35348 1/20 0.38
BLM P54132 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ACHE P22303 1/20 0.37
HIF1A Q16665 2/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2C P18825 1/20 0.37

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
Valine SCHEMBL9178645 0.90 SLC7A5 (0.47) SLC7A5SLC1A2SLC1A3SLC1A1LMNA
Valine SCHEMBL11222886 0.89 SMPD2 (0.47) SLC7A5SLC1A2SLC1A3SLC1A1LMNA
Styrene SCHEMBL2721549 0.86 SLC7A5 (0.54) SLC7A5SLC1A2SLC1A3SLC1A1LMNA
Valine SCHEMBL7840926 0.83 SLC7A5 (0.43) SLC7A5SLC1A2SLC1A3SLC1A1LMNA
Styrene SCHEMBL11336141 0.83 SLC7A5 (0.50) SLC7A5SLC1A2SLC1A3SLC1A1LMNA
Biphenyl SCHEMBL27824248 0.79 SLC7A5 (0.65) SLC7A5SLC1A2SLC1A3SLC1A1MAPT
Biphenyl SCHEMBL2494151 0.79 SLC7A5 (0.65) SLC7A5SLC1A2SLC1A3SLC1A1MAPT
Leucine SCHEMBL16568274 0.78 SLC7A5 (0.58) SLC7A5SLC1A2SLC1A3SLC1A1PTGS1
Salicyladehyde SCHEMBL5555583 0.78 TRIM24 (0.58) SLC7A5SLC1A2SLC1A3SLC1A1LMNA
Valine SCHEMBL4582565 0.78 SLC7A5 (0.88) SLC7A5SLC1A2SLC1A3SLC1A1LMNA

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-20090050266-A1 CROSSLINKED POLYMERIC MATERIALS AS FILLER AND SPACERS IN ADHESIVES YANG KANG 2009-02-26 US disclosed