SCHEMBL7064449

SCHEMBL7064449

CCCCCN(C(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.43
L3MBTL1 Q9Y468 4/20 0.42
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
NCOR2 Q9Y618 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
SCHEMBL23859850 0.89 L3MBTL1 (0.46) CTSKL3MBTL1HDAC3HDAC1HDAC2
SCHEMBL23859851 0.89 L3MBTL1 (0.46) CTSKL3MBTL1HDAC3HDAC1HDAC2
SCHEMBL27438723 0.87 ATM (0.41) CTSKL3MBTL1HDAC3HDAC1HDAC2
SCHEMBL11566665 0.82 HDAC3 (0.41) CTSKL3MBTL1HDAC3HDAC1HDAC2
SCHEMBL7280562 0.81 L3MBTL1 (0.39) CTSKL3MBTL1HDAC3HDAC1HDAC2
SCHEMBL28365893 0.81 L3MBTL1 (0.39) CTSKL3MBTL1HDAC3HDAC1HDAC2
SCHEMBL7273178 0.81 L3MBTL1 (0.39) CTSKL3MBTL1HDAC3HDAC1HDAC2
SCHEMBL28365896 0.81 L3MBTL1 (0.39) CTSKL3MBTL1HDAC3HDAC1HDAC2
SCHEMBL4277566 0.80 CTSS (0.46) CTSK
SCHEMBL29226532 0.80 PPARG (0.41) CTSKL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313696-A2 AMINO(OXO)ACETIC ACID PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2003-05-28 EP disclosed
WO-2002018323-A2 AMINO(OXO)ACETIC ACID PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2002-03-07 WO disclosed