SCHEMBL8636801

SCHEMBL8636801

CC(C)[C@H](NC(CC(=O)NCc1ccccc1)C(=O)O)C(=O)N(c1ccc(-c2ccccc2)cc1)[C@@H](C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HPGD P15428 2/20 0.41
ADAMTS4 O75173 3/20 0.41
MMP2 P08253 3/20 0.41
MMP9 P14780 3/20 0.41
MMP8 P22894 1/20 0.41
MMP12 P39900 1/20 0.41
MMP14 P50281 1/20 0.41
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
HDAC1 Q13547 1/20 0.39
RORC P51449 1/20 0.38
BACE1 P56817 1/20 0.38
MMP13 P45452 1/20 0.37
HTT P42858 1/20 0.37
NR1H4 Q96RI1 1/20 0.37

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
SCHEMBL8638173 0.87 MMP9 (0.42) ALDH1A1LMNAMEN1KMT2AHPGD
SCHEMBL8644830 0.87 MMP9 (0.42) ALDH1A1LMNAMEN1KMT2AHPGD
SCHEMBL8640416 0.83 MME (0.53) MEN1KMT2AHPGDHTT
SCHEMBL8640345 0.83 MME (0.53) MEN1KMT2AHPGDHTT
SCHEMBL8638471 0.78 MMP2 (0.49) ALDH1A1MEN1KMT2AHPGDMMP2
SCHEMBL8637603 0.77 MMP9 (0.50) ALDH1A1LMNAMMP2MMP9MMP8
SCHEMBL8639127 0.75 BIRC2 (0.41) ALDH1A1LMNAMEN1KMT2AHPGD
SCHEMBL8638392 0.72 LMNA (0.45) ALDH1A1LMNAMEN1KMT2AHPGD
SCHEMBL8641283 0.70 MME (0.66) HPGDADAMTS4MMP2MMP9
SCHEMBL8639879 0.70 ACE (0.42) LMNAMEN1KMT2A

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