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Valine

Valine

SCHEMBL7361557

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)cc2)cc1.CC(C)[C@H](N)C(=O)O

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.58
▸ MAPT P10636 2/20 0.58
▸ CA2 P00918 8/20 0.56
▸ CA1 P00915 4/20 0.56
▸ HDAC3 O15379 2/20 0.51
▸ HDAC11 Q96DB2 2/20 0.51
▸ HDAC8 Q9BY41 2/20 0.51
▸ HDAC6 Q9UBN7 2/20 0.51
▸ USP30 Q70CQ3 3/20 0.51
▸ CA12 O43570 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ MMP9 P14780 2/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL8165005 0.80 PTPN1 (0.67) ALDH1A1MAPTCA2CA1CA12
SCHEMBL8165003 0.80 PTPN1 (0.67) ALDH1A1MAPTCA2CA1CA12
SCHEMBL3204698 0.78 NR1I2 (0.53) ALDH1A1MAPTCA2CA1USP30
SCHEMBL6744963 0.74 ACE (0.62) ALDH1A1MAPTCA2CA1
SCHEMBL5926142 0.74 ACE (0.62) ALDH1A1MAPTCA2CA1
SCHEMBL31086837 0.74 ALDH1A1 (1.00) ALDH1A1MAPTMMP9MEN1KMT2A
SCHEMBL20657460 0.74 GHSR (0.58) ALDH1A1MAPTCA2HDAC3HDAC11
SCHEMBL20657462 0.74 GHSR (0.58) ALDH1A1MAPTCA2HDAC3HDAC11
SCHEMBL4886086 0.74 SERPINE1 (0.65) ALDH1A1MAPTUSP30MMP9MEN1
SCHEMBL16369626 0.73 CA2 (1.00) ALDH1A1CA2CA1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998025949-A1 SUBSTITUTED 5-AMINO-1,3,4-THIADIAZOLE-2-THIONES PROSCRIPT, INC. (US) 1998-06-18 — — WO disclosed
EP-0845002-A2 AMINO ACID AMIDES OF 5-AMINO-1,3,4-THIADIAZONES AND THEIR USE AS INHIBITORS FOR MATRIX METALLOPROTEINASES PROSCRIPT, INC. (US) 1998-06-03 — — EP disclosed
US-5677282-A ENZYME INHIBITOR; OSTEOARTHRITIS AND RHEUMATIC DISORDERS PROSCRIPT, INC. (US) 1997-10-14 — — US disclosed
WO-1996040745-A2 AMINO ACID AMIDES OF 5-AMINO-1,3,4-THIADIAZONES AND THEIR USE AS INHIBITORS FOR MATRIX METALLOPROTEINASES PROSCRIPT, INC. (US) 1996-12-19 — — WO disclosed