SCHEMBL8449476

SCHEMBL8449476

CC(C)CN(CCC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)O)C(Cc1ccccc1)c1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.45
MME P08473 7/20 0.44
ACE P12821 5/20 0.44
CASP1 P29466 1/20 0.41
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
EPHX2 P34913 2/20 0.38
PTPN1 P18031 1/20 0.37
ACP3 P15309 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CCKBR P32239 1/20 0.36
ECE1 P42892 2/20 0.36

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
SCHEMBL8447081 0.87 PPARG (0.42) CTSBMMEACECASP1PTPN1
SCHEMBL8446387 0.85 MME (0.45) CTSBMMEACECASP1OPRM1
SCHEMBL8453149 0.84 MME (0.47) CTSBMMEACECASP1PTPN1
SCHEMBL8451198 0.83 MME (0.48) CTSBMMEACEECE1
SCHEMBL8450121 0.82 CTSB (0.45) CTSBMMEACECCKBR
SCHEMBL7567320 0.82 MME (0.66) CTSBMMEACECASP1
SCHEMBL8450108 0.81 MME (0.45) CTSBMMEACECASP1PTPN1
SCHEMBL7567288 0.79 MME (0.53) CTSBMMEACEPTPN1
SCHEMBL8449475 0.79 MME (0.60) CTSBMMEACECASP1
SCHEMBL8447079 0.78 MME (0.46) CTSBMMEACEPTPN1

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