SCHEMBL8446387

SCHEMBL8446387

CC(C)CN(C[C@H](CCc1ccccc1)C(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)O)C(Cc1ccccc1)c1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MME P08473 8/20 0.45
ACE P12821 5/20 0.45
METAP2 P50579 1/20 0.40
METAP1 P53582 1/20 0.40
EPHX2 P34913 2/20 0.40
CTSB P07858 1/20 0.39
CASP1 P29466 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
ECE1 P42892 2/20 0.36
KMT2A Q03164 1/20 0.36
ACE2 Q9BYF1 1/20 0.35
PSMB5 P28074 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
SCHEMBL8453054 0.88 MME (0.42) MMEACECTSBKDM4EALDH1A1
SCHEMBL8449476 0.85 CTSB (0.45) MMEACEEPHX2CTSBCASP1
SCHEMBL8450247 0.84 MME (0.47) MMEACECTSBECE1ACE2
SCHEMBL7572242 0.84 MME (0.66) MMEACECASP1KDM4EALDH1A1
SCHEMBL7572248 0.84 MME (0.66) MMEACECASP1KDM4EALDH1A1
SCHEMBL8453092 0.84 MME (0.43) MMEACECTSBECE1ACE2
SCHEMBL8450113 0.83 MME (0.43) MMEACECTSB
SCHEMBL8446385 0.82 MME (0.60) MMEACECTSBCASP1KDM4E
SCHEMBL7568408 0.81 MME (0.52) MMEACEKMT2AACE2
SCHEMBL7568400 0.81 MME (0.52) MMEACEKMT2AACE2

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