SCHEMBL7342912

SCHEMBL7342912

CC(C)C[C@H](NC(CCc1ccccc1)P(=O)(O)O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 4/20 0.54
HRH4 Q9H3N8 1/20 0.52
CPA1 P15085 3/20 0.51
MME P08473 3/20 0.51
ACE P12821 2/20 0.51
ACE2 Q9BYF1 1/20 0.51
ANPEP P15144 2/20 0.50
ERAP2 Q6P179 1/20 0.50
ERAP1 Q9NZ08 1/20 0.50
CPA2 P48052 2/20 0.49
CPA4 Q9UI42 2/20 0.49
PSMB5 P28074 1/20 0.48
MMP2 P08253 3/20 0.46
MMP9 P14780 2/20 0.46
MMP8 P22894 2/20 0.46
PYGB P11216 1/20 0.45
CTSD P07339 1/20 0.45
MMP3 P08254 2/20 0.45
MMP14 P50281 1/20 0.45
KMT2A Q03164 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
SCHEMBL7307671 0.87 ERAP2 (0.58) ECE1MMEACEANPEPERAP2
SCHEMBL7306489 0.87 ERAP2 (0.68) ECE1MMEACEANPEPERAP2
SCHEMBL7312264 0.85 ACE (0.58) CPA1ACEERAP2ERAP1CPA2
SCHEMBL7312238 0.85 ACE (0.58) CPA1ACEERAP2ERAP1CPA2
SCHEMBL7315009 0.82 ERAP2 (0.64) ECE1MMEACEANPEPERAP2
SCHEMBL7307608 0.82 ERAP2 (0.62) ECE1ACEANPEPERAP2ERAP1
SCHEMBL6412335 0.81 MMP1 (0.56) CPA1ERAP2ERAP1CPA2CPA4
SCHEMBL6412324 0.81 MMP1 (0.56) CPA1ERAP2ERAP1CPA2CPA4
SCHEMBL7304171 0.81 ECE1 (0.63) ECE1MMEACEANPEPERAP2
SCHEMBL7306818 0.80 ERAP1 (0.59) ECE1MMEACEANPEPERAP2

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-5380921-A Enzyme inhibitors for endothelin converting enzyme for cardiovascular disorders and atherosclerosis BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-01-10 US disclosed
EP-0623625-A1 Aminophosphonic acid derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-11-09 EP disclosed