SCHEMBL7300665

SCHEMBL7300665

CC(C)CNC(C(=O)OCc1ccccc1)C(O)C(O)C(N)CC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 6/20 0.47
METAP1 P53582 6/20 0.47
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
CTSD P07339 2/20 0.41
REN P00797 7/20 0.41

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
SCHEMBL10533232 1.00 METAP2 (0.47) METAP2METAP1CTSLCTSBCTSS
SCHEMBL9770915 0.81 METAP2 (0.53) METAP2METAP1CTSLCTSBCTSS
SCHEMBL7352302 0.76 METAP2 (0.60) METAP2METAP1CTSLCTSBCTSS
SCHEMBL8269724 0.76 CTSK (0.57) METAP2METAP1CTSLCTSBCTSS
SCHEMBL1863096 0.76 CTSK (0.57) METAP2METAP1CTSLCTSBCTSS
SCHEMBL12631591 0.76 CTSK (0.57) METAP2METAP1CTSLCTSBCTSS
SCHEMBL1863098 0.76 CTSK (0.57) METAP2METAP1CTSLCTSBCTSS
SCHEMBL1863093 0.76 CTSK (0.57) METAP2METAP1CTSLCTSBCTSS
SCHEMBL7300655 0.75 METAP2 (0.43) METAP2METAP1CTSLCTSBCTSS
SCHEMBL10521370 0.75 METAP2 (0.52) METAP2METAP1CTSLCTSBCTSS

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-0341602-A2 Renin-inhibiting functionalized peptidyl aminodiols and - triols ABBOTT LABORATORIES (US) 1989-11-15 EP disclosed