Valine

Valine

SCHEMBL14142152

CC(C)[C@H](N)C(=O)O.O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1CCO

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 6/20 0.37
CRBN Q96SW2 6/20 0.37
ALDH1A1 P00352 2/20 0.37
CHRM2 P08172 1/20 0.37
OPRM1 P35372 1/20 0.37
IKZF3 Q9UKT9 1/20 0.37
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ELANE P08246 1/20 0.36
MAP1LC3B Q9GZQ8 3/20 0.36
KMT2A Q03164 2/20 0.35
MME P08473 1/20 0.34
ACE P12821 1/20 0.34
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33

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
Alanine SCHEMBL14142108 0.94 DDB1 (0.40) DDB1CRBNALDH1A1CHRM2OPRM1
SCHEMBL4929916 0.86 CRBN (0.48) DDB1CRBNALDH1A1CHRM2OPRM1
Glycine SCHEMBL4929867 0.85 DDB1 (0.41) DDB1CRBNALDH1A1CHRM2OPRM1
Phenylalanine SCHEMBL14142283 0.85 PKM (0.44) DDB1CRBNALDH1A1CHRM2OPRM1
SCHEMBL14142021 0.84 DDB1 (0.39) DDB1CRBNALDH1A1CHRM2OPRM1
SCHEMBL14294603 0.84 MAP1LC3B (0.41) DDB1CRBNALDH1A1CHRM2OPRM1
Bromoacetic Acid SCHEMBL4940372 0.83 DDB1 (0.41) DDB1CRBNALDH1A1CHRM2OPRM1
SCHEMBL14142181 0.82 KMT2A (0.37) DDB1CRBNALDH1A1CHRM2OPRM1
SCHEMBL4937361 0.81 DDB1 (0.38) DDB1CRBNALDH1A1CHRM2OPRM1
SCHEMBL2917208 0.81 L3MBTL1 (0.38) DDB1CRBNALDH1A1CHRM2OPRM1

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-1867649-B1 PIPERIDYL-2, 6-DIONE DERIVATIVES USED TO INHIBIT CELLS FROM RELEASING TUMOR NECROSIS FACTOR TIAN JIN HEMAY BIO TECH CO LTD (CN) 2012-12-12 EP claimed