SCHEMBL9348204

SCHEMBL9348204

CC(C)C[C@H](NCCC(NC(=O)OCc1ccccc1)P(=O)(O)O)C(=O)N(C(N)=O)[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 4/20 0.51
MME P08473 3/20 0.51
ACE2 Q9BYF1 1/20 0.51
CTSK P43235 3/20 0.44
CAPN1 P07384 1/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44

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
SCHEMBL7325571 0.88 SLC1A3 (0.45) ECE1MMEACE2
SCHEMBL6843865 0.82 ACP3 (0.42)
SCHEMBL7328790 0.81 SLC1A3 (0.44) ECE1MMEACE2
SCHEMBL7367235 0.81 LTA4H (0.38) MMEACE2
SCHEMBL6257526 0.80 LTA4H (0.40) MMEACE2
SCHEMBL7367102 0.80 LTA4H (0.37) MMEACE2
SCHEMBL7364027 0.79 MME (0.56) ECE1MMEACE2CTSKCAPN1
SCHEMBL7386283 0.79 LTA4H (0.37) MMEACE2
SCHEMBL6412346 0.79 CPA1 (0.45) ECE1ACE2
SCHEMBL7368486 0.79 LTA4H (0.36) MMEACE2

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-0612324-A1 PHOSPHONOPEPTIDES WITH COLLAGENASE INHIBITING ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1994-08-31 EP disclosed