Valine

Valine

SCHEMBL6814434

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

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.48
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32

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 SCHEMBL9382950 0.77 SLC7A5 (0.62) SLC7A5SLC1A3SLC1A2SLC1A1
Valine SCHEMBL723520 0.77 SLC7A5 (0.62) SLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL319023 0.76 CA1 (0.32)
Valine SCHEMBL8575925 0.75 SLC7A5 (0.65) SLC7A5SLC1A3SLC1A2SLC1A1
Hydrogen Sulfide SCHEMBL29272235 0.74 CA1 (0.30)
Valine SCHEMBL30591962 0.73 SLC7A5 (0.56) SLC7A5SLC1A3SLC1A2SLC1A1
Valine SCHEMBL30592077 0.73 SLC7A5 (0.56) SLC7A5SLC1A3SLC1A2SLC1A1
Valine SCHEMBL9088823 0.72 SLC7A5 (0.75) SLC7A5SLC1A3SLC1A2SLC1A1
Valine SCHEMBL9672476 0.72 SLC7A5 (0.75) SLC7A5SLC1A3SLC1A2SLC1A1
Valine SCHEMBL547430 0.72 SLC7A5 (0.75) SLC7A5SLC1A3SLC1A2SLC1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1115687-B1 5,6-DIHYDRONAPHTHALENYL DERIVATIVES HAVING RETINOID-LIKE ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2004-05-26 EP disclosed
EP-1115687-A4 5,6-DIHYDRONAPHTHALENYL DERIVATIVES HAVING RETINOID-LIKE ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2002-06-05 EP disclosed
EP-1115687-A1 5,6-DIHYDRONAPHTHALENYL DERIVATIVES HAVING RETINOID-LIKE ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2001-07-18 EP disclosed
US-6194601-B1 USEFUL IN TREATMENT OF SKIN DISORDERS SUCH AS ACNE AND DAMAGE FROM AGE OR IRRADIATION; CHRONIC SKIN INFLAMMATORY INFLAMMATORY DISEASES SUCH AS PSORIASIS AND ATOPIC DERMATITIS; ANTITUMOR AGENTS FOR BREAST CANCER, LUNG CANCER; NONTOXIC BRISTOL-MYERS SQUIBB COMPANY 2001-02-27 US disclosed
WO-2000017147-A1 5,6-DIHYDRONAPHTHALENYL DERIVATIVES HAVING RETINOID-LIKE ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2000-03-30 WO disclosed