SCHEMBL8640345

SCHEMBL8640345

CC(C)[C@H](NC(CCc1ccccc1)C(=O)O)C(=O)N(c1ccc(-c2ccccc2)cc1)[C@@H](C)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.53
ACE P12821 9/20 0.44
HPGD P15428 1/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PRSS1 P07477 1/20 0.38
CTSG P08311 1/20 0.38
CTRB1 P17538 1/20 0.38
CMA1 P23946 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL8640416 1.00 MME (0.53) MMEACEHPGDCPA1ACE2
SCHEMBL8641283 0.87 MME (0.66) MMEACEHPGDCPA1ACE2
SCHEMBL8637613 0.86 MME (0.55) MMEACEHPGDCPA1ACE2
SCHEMBL8639879 0.83 ACE (0.42) MMEACEMEN1KMT2ASMN1; SMN2
SCHEMBL8638471 0.83 MMP2 (0.49) HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL8636801 0.83 ALDH1A1 (0.43) HPGDMEN1HTTKMT2A
SCHEMBL10943984 0.82 MME (0.49) MMEACEHPGD
SCHEMBL10942461 0.80 ACE (0.46) MMEACEMEN1KMT2ASMN1; SMN2
SCHEMBL8641870 0.80 MME (0.48) MMEKMT2A
SCHEMBL7229919 0.79 MME (0.58) MMEACEHPGDMEN1HTT

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
EP-0766694-B1 PEPTIDE DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY ZAMBON SPA (IT) 1998-08-05 EP claimed
EP-0766694-B1 PEPTIDE DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY ZAMBON SPA (IT) 1998-08-05 EP disclosed