Valine

Valine

SCHEMBL8726713

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

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.54
CES2 O00748 2/20 0.47
HTT P42858 2/20 0.46
MEN1 O00255 1/20 0.46
THRB P10828 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.46
P2RY10 O00398 2/20 0.45
GRIK1 P39086 1/20 0.41
GRIK2 Q13002 1/20 0.41
TSHR P16473 2/20 0.41
USP2 O75604 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
PLA2G2C Q5R387 1/20 0.41
SPHK1 Q9NYA1 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
Valine SCHEMBL5401541 0.98 SLC7A5 (0.56) SLC7A5CES2HTTMEN1THRB
Dodecane SCHEMBL28109673 0.89 SLC7A5 (0.68) SLC7A5MEN1KMT2AMAPTGRIK1
Valine SCHEMBL11005807 0.89 SLC7A5 (0.68) SLC7A5MEN1KMT2AMAPTGRIK1
Valine SCHEMBL4045692 0.87 SLC7A5 (0.71) SLC7A5MAPTGRIK1GRIK2ACE2
Valine SCHEMBL9355634 0.84 SLC7A5 (0.52) SLC7A5GRIK1GRIK2TSHRACE2
Valine SCHEMBL15638487 0.84 SLC7A5 (0.52) SLC7A5GRIK1GRIK2TSHRACE2
Valine SCHEMBL9671168 0.83 USP2 (0.44) SLC7A5CES2HTTP2RY10USP2
Octanol SCHEMBL2214937 0.81 SLC7A5 (0.58) SLC7A5MEN1KMT2AMAPTGRIK1
Valine SCHEMBL11594559 0.81 HSD17B10 (0.48) SLC7A5HTTMAPTP2RY10USP2
Lactic Acid SCHEMBL27991357 0.81 CES2 (0.53) CES2HTTMEN1THRBKMT2A

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-5773595-A Cationic sugar surfactants HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1998-06-30 US disclosed