SCHEMBL8447086

SCHEMBL8447086

COc1ccccc1OC(=O)[C@H](CN(CC(C)C)C(=O)N[C@H](C(=O)O)C(Cc1ccccc1)c1ccc(-c2ccccc2)cc1)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.44
ACE P12821 4/20 0.44
CTSB P07858 1/20 0.38
USP2 O75604 1/20 0.37
LPAR1 Q92633 3/20 0.37
LPAR5 Q9H1C0 1/20 0.37
FDFT1 P37268 1/20 0.35
PSMB5 P28074 1/20 0.35
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
ITGA4 P13612 2/20 0.34
ITGB7 P26010 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
ITGB1 P05556 1/20 0.34
CAPN1 P07384 1/20 0.33
FPR2 P25090 1/20 0.33
ACACB O00763 1/20 0.33

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
SCHEMBL8450803 0.89 MME (0.48) MMEACECTSBFDFT1PSMB5
SCHEMBL7573787 0.88 MME (0.59) MMEACELPAR1ITGA4ITGB7
SCHEMBL7573781 0.88 MME (0.59) MMEACELPAR1ITGA4ITGB7
SCHEMBL8449676 0.88 MME (0.48) MMEACECTSBFDFT1PSMB5
SCHEMBL8447092 0.87 MME (0.45) MMEACECTSBUSP2LPAR1
SCHEMBL8449331 0.86 MME (0.44) MMEACEUSP2LPAR1LPAR5
SCHEMBL8447085 0.85 MME (0.51) MMEACECTSBLPAR1LPAR5
SCHEMBL8451848 0.85 MME (0.46) MMEACECTSBUSP2LPAR1
SCHEMBL8446471 0.84 MME (0.47) MMEACECTSBFDFT1ACACB
SCHEMBL8446405 0.84 MME (0.48) MMEACECTSBFDFT1PPARG

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