SCHEMBL8938526

SCHEMBL8938526

O=C(c1nccs1)[C@@H]1CCCN1C(=O)[C@@H]1CS[C@@H](c2ccccc2)N1C(=O)CCCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 1/20 0.41
CES1 P23141 1/20 0.41
PKM P14618 1/20 0.40
PREP P48147 5/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
F2 P00734 1/20 0.37
EPHX2 P34913 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
SCHEMBL8938620 0.86 PLA2G4A (0.48) PLA2G4ACES1PKMPREPMEN1
SCHEMBL8938439 0.85 MEN1 (0.50) PLA2G4ACES1PKMPREPMEN1
SCHEMBL8938598 0.83 PKM (0.44) PLA2G4ACES1PKMPREPMEN1
SCHEMBL8938468 0.83 PREP (0.43) PLA2G4ACES1PKMPREPMEN1
SCHEMBL8938473 0.81 PREP (0.56) PLA2G4ACES1PKMPREPMEN1
SCHEMBL8938442 0.80 PKM (0.42) PLA2G4ACES1PKMPREPMEN1
SCHEMBL8938518 0.78 PKM (0.41) PLA2G4ACES1PKMMEN1NPC1
SCHEMBL8938556 0.73 PREP (0.60) PREPKMT2A
SCHEMBL8938499 0.71 MEN1 (0.48) PREPMEN1NPC1RAB9AKMT2A
SCHEMBL8938415 0.71 MEN1 (0.49) PREPMEN1NPC1RAB9AKMT2A

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-5547978-A ENDOPEPTIDASE INHIBITORS MEIJI SEIKA KAISHA, LTD. (JP) 1996-08-20 US disclosed