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Valine

Valine

SCHEMBL4398679

CC(C)[C@H](N)C(=O)O.NC(=O)CC[C@H](N)C(=O)OC(=O)[C@@H](N)CCC(N)=O.NCC(=O)O.NCC(=O)O.N[C@@H](COC(=O)[C@@H]1CCCN1)C(=O)O.O=C(O)[C@@H]1CCCN1

nearest known ligand 0.31

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

SLC5A2

The experimentally established mechanism targets of Valine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ PMP22 Q01453 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
Proline SCHEMBL3105891 0.90 KMT2A (0.38) ALOX15BLMPMP22KMT2A
Valine SCHEMBL18954803 0.88 ALOX15 (0.37) ALOX15BLMPMP22KMT2A
Glutamine SCHEMBL3054141 0.87 ALOX15 (0.42) ALOX15BLMPMP22KMT2A
Glutamine SCHEMBL28769003 0.87 ALOX15 (0.42) ALOX15BLMPMP22KMT2A
Glutamine SCHEMBL5663861 0.85 ALOX15 (0.40) ALOX15BLMPMP22KMT2A
Glutamine SCHEMBL4398683 0.83 ALOX15 (0.39) ALOX15BLMPMP22KMT2A
Glutamine SCHEMBL4667538 0.83 KMT2A (0.46) ALOX15BLMPMP22KMT2A
Glutamine SCHEMBL27660739 0.83 KMT2A (0.46) ALOX15BLMPMP22KMT2A
Valine SCHEMBL7135753 0.82 ALOX15 (0.34) ALOX15BLMPMP22KMT2A
Glycine SCHEMBL10428555 0.81 ALOX15 (0.30) ALOX15BLMPMP22KMT2A

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-7560430-B2 To stimulate the endogenous production of Elastin or appear to enhance the elasticity of the skin HUMAN MATRIX SCIENCES, LLC (US) 2009-07-14 — — US disclosed