SCHEMBL8450108

SCHEMBL8450108

CC(C)CN(CCC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)O)C(Cc1ccccc1)c1ccc(-c2ccc3ccccc3c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.45
ACE P12821 3/20 0.43
CTSB P07858 1/20 0.43
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
UTS2R Q9UKP6 6/20 0.38
PTPN1 P18031 1/20 0.38
CASP1 P29466 1/20 0.37
CCKBR P32239 1/20 0.36
ACACB O00763 1/20 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
SCHEMBL8453149 0.93 MME (0.47) MMEACECTSBUTS2RPTPN1
SCHEMBL8451198 0.92 MME (0.48) MMEACECTSBACACB
SCHEMBL8450121 0.88 CTSB (0.45) MMEACECTSBCCKBR
SCHEMBL8447081 0.87 PPARG (0.42) MMEACECTSBPTPN1CASP1
SCHEMBL8446449 0.86 MME (0.47) MMEACECTSBUTS2R
SCHEMBL7567870 0.86 MME (0.61) MMEACECTSBHDAC1HDAC6
SCHEMBL8450113 0.86 MME (0.43) MMEACECTSBHDAC1HDAC6
SCHEMBL8446426 0.85 MME (0.48) MMEACECTSB
SCHEMBL8452068 0.85 MME (0.48) MMEACECTSBACACB
SCHEMBL8450105 0.85 MME (0.54) MMEACECTSBHDAC1HDAC6

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