SCHEMBL8449555

SCHEMBL8449555

O=C(OCc1ccccc1)[C@@H](CCc1ccccc1)CN(Cc1ccccc1)C(=O)N[C@H](C(=O)O)C(Cc1ccccc1)c1ccc2ccccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 2/20 0.38
ACE P12821 5/20 0.38
PTGES O14684 2/20 0.38
MME P08473 3/20 0.36
CTSB P07858 2/20 0.35
CASP1 P29466 1/20 0.35
LPAR1 Q92633 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
MMP2 P08253 1/20 0.35
MMP7 P09237 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP14 P50281 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35
LNPEP Q9UIQ6 1/20 0.34

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
SCHEMBL8450197 0.90 UTS2R (0.42) UTS2RCTSBCASP1PPARGPPARA
SCHEMBL8451272 0.90 PTGES (0.39) ACEPTGESMMECTSBLPAR1
SCHEMBL8450113 0.85 MME (0.43) UTS2RACEPTGESMMECTSB
SCHEMBL8446482 0.82 MME (0.49) UTS2RACEMMECTSB
SCHEMBL7573818 0.82 ACE (0.56) ACEMMECTSBLPAR1CTSL
SCHEMBL7573808 0.82 ACE (0.56) ACEMMECTSBLPAR1CTSL
SCHEMBL8449552 0.81 ACE (0.50) ACEPTGESMMECTSBCASP1
SCHEMBL8450247 0.81 MME (0.47) ACEMMECTSBCTSL
SCHEMBL8447133 0.81 MME (0.42) UTS2RACEMMECTSB
SCHEMBL8453092 0.81 MME (0.43) ACEPTGESMMECTSB

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