SCHEMBL8449331

SCHEMBL8449331

COc1ccccc1OC(=O)[C@@H](CCc1ccccc1)CN(CC(C)C)C(=O)N[C@H](C(=O)O)C(Cc1ccccc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.44
ACE P12821 3/20 0.44
MMP3 P08254 3/20 0.39
LPAR1 Q92633 4/20 0.38
USP2 O75604 1/20 0.37
FDFT1 P37268 1/20 0.37
PDE4A P27815 3/20 0.37
PDE4B Q07343 3/20 0.37
PDE4C Q08493 3/20 0.37
PDE4D Q08499 3/20 0.37
LPAR5 Q9H1C0 1/20 0.37
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL8447092 0.95 MME (0.45) MMEACELPAR1USP2FDFT1
SCHEMBL8449483 0.91 MME (0.42) MMEACEMMP3LPAR1LPAR5
SCHEMBL8451246 0.88 MME (0.47) MMEACEMMP3FDFT1
SCHEMBL8450247 0.88 MME (0.47) MMEACEMMP3FDFT1
SCHEMBL7566362 0.88 MME (0.59) MMEACEMMP3LPAR1ALDH1A1
SCHEMBL7566370 0.88 MME (0.59) MMEACEMMP3LPAR1ALDH1A1
SCHEMBL8449905 0.87 MME (0.52) MMEACEMMP3FDFT1
SCHEMBL8451265 0.87 MME (0.49) MMEACEMMP3FDFT1
SCHEMBL8447086 0.86 MME (0.44) MMEACELPAR1USP2FDFT1
SCHEMBL8451848 0.85 MME (0.46) MMEACELPAR1USP2FDFT1

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
US-5968980-A ENDOPEPTIDASE 24.11 INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1999-10-19 US disclosed