SCHEMBL7296839

SCHEMBL7296839

CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C(=O)ON(C1CCCCC1)C1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 6/20 0.58
▸ CTSS P25774 3/20 0.58
▸ AAK1 Q2M2I8 2/20 0.44
▸ HDAC4 P56524 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ CACNA1B Q00975 5/20 0.41
▸ CTSL P07711 3/20 0.39
▸ CTSB P07858 3/20 0.39
▸ CTSH P09668 2/20 0.39
▸ REN P00797 3/20 0.38
▸ EPHX1 P07099 1/20 0.37

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
SCHEMBL9099322 0.98 CTSK (0.55) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL11096635 0.88 CTSK (0.46) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL3709454 0.85 CTSK (0.46) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL1424546 0.84 CTSK (0.65) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL21427217 0.84 CTSK (0.65) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL23118362 0.84 CTSK (0.65) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL5063217 0.84 CTSK (0.65) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL21119399 0.84 CTSK (0.65) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL1738774 0.84 CTSK (0.53) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL9099948 0.84 CTSK (0.53) CTSKCTSSAAK1HDAC4HDAC1

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
US-5378690-A Treatment of angiotensin induced hypertension SANKYO COMPANY, LIMITED (JP) 1995-01-03 — — US disclosed
EP-0274259-A2 New renin-inhibitory oligopeptides, their preparaton and their use Sankyo Company Limited (JP) 1988-07-13 — — EP disclosed
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