SCHEMBL8453149

SCHEMBL8453149

CC(C)CN(CCC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)O)C(Cc1ccccc1)c1ccc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MME P08473 8/20 0.47
ACE P12821 6/20 0.45
CTSB P07858 2/20 0.45
PTPN1 P18031 1/20 0.39
CASP1 P29466 2/20 0.39
UTS2R Q9UKP6 2/20 0.38
CCKBR P32239 1/20 0.38
CYP26A1 O43174 1/20 0.38
CTSL P07711 1/20 0.37
CTSS P25774 1/20 0.37
PTGES O14684 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
SCHEMBL8450108 0.93 MME (0.45) MMEACECTSBPTPN1CASP1
SCHEMBL8446449 0.93 MME (0.47) MMEACECTSBUTS2R
SCHEMBL8446489 0.90 MME (0.45) MMEACECTSBUTS2RCYP26A1
SCHEMBL8451198 0.88 MME (0.48) MMEACECTSBCTSL
SCHEMBL8450121 0.88 CTSB (0.45) MMEACECTSBCCKBRPTGES
SCHEMBL8450840 0.86 MME (0.46) MMEACECTSBUTS2RCYP26A1
SCHEMBL8447081 0.85 PPARG (0.42) MMEACECTSBPTPN1CASP1
SCHEMBL8449476 0.84 CTSB (0.45) MMEACECTSBPTPN1CASP1
SCHEMBL7574270 0.82 MME (0.70) MMEACECTSBPTPN1CASP1
SCHEMBL8452068 0.81 MME (0.48) MMEACECTSBPTGES

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