SCHEMBL8699259

SCHEMBL8699259

CCC(NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.59
HDAC4 P56524 3/20 0.57
HDAC1 Q13547 3/20 0.57
CTSK P43235 10/20 0.57
CTSS P25774 8/20 0.57
HDAC3 O15379 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
CTSL P07711 1/20 0.52
CTSB P07858 1/20 0.52
PPARA Q07869 2/20 0.48
PPARG P37231 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SIRT5 Q9NXA8 1/20 0.48

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
SCHEMBL8699255 1.00 HDAC8 (0.59) HDAC8HDAC4HDAC1CTSKCTSS
SCHEMBL23188882 1.00 HDAC8 (0.59) HDAC8HDAC4HDAC1CTSKCTSS
SCHEMBL3763472 0.89 HDAC4 (0.61) HDAC8HDAC4HDAC1CTSKCTSS
SCHEMBL8235050 0.89 HDAC8 (0.53) HDAC8HDAC4HDAC1CTSKCTSS
SCHEMBL21024477 0.89 HDAC8 (0.59) HDAC8HDAC4HDAC1CTSKCTSS
SCHEMBL26436622 0.87 HDAC4 (0.65) HDAC8HDAC4HDAC1CTSKCTSS
SCHEMBL23454631 0.87 HDAC4 (0.65) HDAC8HDAC4HDAC1CTSKCTSS
SCHEMBL10163667 0.87 RXFP1 (0.52) HDAC8HDAC4HDAC1CTSKCTSS
SCHEMBL19576327 0.86 HDAC8 (0.49) HDAC8HDAC4HDAC1CTSKCTSS
SCHEMBL9609480 0.86 CTSK (0.59) HDAC8HDAC4HDAC1CTSKCTSS

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
US-5726319-A Biphenyl substituted dipeptide analogs promote release of growth hormone MERCK & CO., INC. (US) 1998-03-10 US disclosed
EP-0669830-A4 SUBSTITUTED DIPEPTIDE ANALOGS PROMOTE RELEASE OF GROWTH HORMONE. MERCK & CO INC (US) 1997-02-26 EP disclosed
EP-0669830-A1 SUBSTITUTED DIPEPTIDE ANALOGS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO. INC. (US) 1995-09-06 EP disclosed
WO-1994011012-A1 SUBSTITUTED DIPEPTIDE ANALOGS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1994-05-26 WO disclosed