SCHEMBL7327707

SCHEMBL7327707

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

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.50
CTSK P43235 2/20 0.50
REN P00797 16/20 0.47
CTSD P07339 1/20 0.45
CTSE P14091 1/20 0.45

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
SCHEMBL9726146 0.89 CTSS (0.54) CTSSCTSKRENCTSDCTSE
SCHEMBL9831219 0.89 CTSS (0.54) CTSSCTSKRENCTSDCTSE
SCHEMBL10386880 0.89 CTSS (0.54) CTSSCTSKRENCTSDCTSE
SCHEMBL3606572 0.88 CTSS (0.53) CTSSCTSKRENCTSDCTSE
SCHEMBL3606578 0.88 CTSS (0.53) CTSSCTSKRENCTSDCTSE
SCHEMBL3606570 0.88 CTSS (0.53) CTSSCTSKRENCTSDCTSE
SCHEMBL7284721 0.88 CTSS (0.55) CTSSCTSKRENCTSDCTSE
SCHEMBL7331578 0.88 CTSS (0.50) CTSSCTSKRENCTSDCTSE
SCHEMBL7431703 0.87 REN (0.47) CTSSCTSKRENCTSDCTSE
SCHEMBL10610618 0.87 REN (0.47) CTSSCTSKRENCTSDCTSE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0396065-A1 Novel amino acid derivatives possessing renin-inhibitory activities Japan Tobacco Inc. (JP) 1990-11-07 EP disclosed