SCHEMBL8450840

SCHEMBL8450840

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MME P08473 8/20 0.46
ACE P12821 6/20 0.46
CTSB P07858 2/20 0.40
PSMB5 P28074 1/20 0.37
CYP26A1 O43174 1/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
UTS2R Q9UKP6 1/20 0.35
PTGES O14684 1/20 0.35
CYP2D6 P10635 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KCNH2 Q12809 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
SCHEMBL8450803 0.89 MME (0.48) MMEACECTSBPSMB5CTSL
SCHEMBL8453149 0.86 MME (0.47) MMEACECTSBCYP26A1CTSL
SCHEMBL8446471 0.84 MME (0.47) MMEACECTSBCTSL
SCHEMBL7573777 0.82 MME (0.68) MMEACECTSBCTSLCTSS
SCHEMBL7573782 0.82 MME (0.68) MMEACECTSBCTSLCTSS
SCHEMBL8446405 0.82 MME (0.48) MMEACECTSBPPARGPPARA
SCHEMBL8446482 0.81 MME (0.49) MMEACECTSBUTS2RCYP2D6
SCHEMBL8450834 0.81 MME (0.61) MMEACECTSBCTSLCTSS
SCHEMBL8450113 0.81 MME (0.43) MMEACECTSBUTS2RPTGES
SCHEMBL8446449 0.81 MME (0.47) MMEACECTSBPPARGPPARA

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