SCHEMBL8915173

SCHEMBL8915173

CC(C)(C)OC(=O)NC1(Cc2ccccc2)CCCN(C[C]=O)C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPIA P62937 4/20 0.50
F2 P00734 2/20 0.42
PRSS1 P07477 2/20 0.42
F10 P00742 1/20 0.42
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
KMT2A Q03164 2/20 0.37
AKT1 P31749 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPFFR1 Q9GZQ6 1/20 0.37
NPFFR2 Q9Y5X5 1/20 0.37
CTSL P07711 2/20 0.36
CTSS P25774 2/20 0.36
CTSB P07858 1/20 0.36
CTSK P43235 1/20 0.36
MEN1 O00255 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 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
SCHEMBL27475666 0.89 PPIA (0.52) PPIAF2PRSS1F10CA12
SCHEMBL8087931 0.88 PPIA (0.51) PPIAF2PRSS1F10CA12
SCHEMBL8912826 0.83 PPIA (0.48) PPIAF2PRSS1F10CTSL
SCHEMBL13201418 0.74 NPFFR1 (0.44) PPIACA12CA1CA7CA14
SCHEMBL8224968 0.73 PPIA (0.45) PPIAF2PRSS1F10CA12
SCHEMBL8418697 0.73 PPIA (0.45) PPIAF2PRSS1F10CA12
SCHEMBL19559839 0.71 ADRB2 (0.52) PPIACA12CA1CA7CA14
SCHEMBL8227060 0.70 PPIA (0.42) PPIACA12CA1CA7CA14
SCHEMBL5381278 0.70 PPIA (0.49) PPIACA12CA1CA7CA14
SCHEMBL8085796 0.70 PPIA (0.49) PPIAF2PRSS1F10CTSL

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-5703208-A ANTICOAGULANTS CORVAS INTERNATIONAL, INC. (US) 1997-12-30 US disclosed