SCHEMBL7327404

SCHEMBL7327404

CCC[C@H](NC(=O)OC(C)(C)C)C(=O)C(O)(C(=O)O)C(N)CC1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.52
CTSS P25774 5/20 0.52
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
AAK1 Q2M2I8 2/20 0.40
CACNA1B Q00975 2/20 0.38
ITGB3 P05106 5/20 0.36
ITGA2B P08514 5/20 0.36
REN P00797 1/20 0.36
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35

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
SCHEMBL7327391 1.00 CTSK (0.52) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL7337082 0.94 CTSK (0.50) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL7337101 0.94 CTSK (0.50) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL9806110 0.89 CTSK (0.48) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL9806119 0.83 CTSK (0.46) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL9514563 0.78 CTSK (0.45) CTSKCTSSAAK1CTSLCTSB
SCHEMBL7327399 0.76 CTSK (0.48) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL7264708 0.75 CTSK (0.54) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL8233824 0.75 CTSK (0.54) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL8283416 0.75 CTSK (0.70) CTSKCTSSHDAC4HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5095119-A Renin inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1992-03-10 US disclosed
US-5075451-A Pyrrolimidazolones useful as renin inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1991-12-24 US disclosed
US-5023338-A Renin inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1991-06-11 US disclosed