SCHEMBL7894697

SCHEMBL7894697

CC(=O)OC(C#N)[C@H](CC1CCN(C(=O)OC(C)(C)C)CC1)NC(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 3/20 0.47
P2RX7 Q99572 7/20 0.46
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
BACE1 P56817 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
STS P08842 1/20 0.42
PREP P48147 2/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
NTSR1 P30989 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL27492185 1.00 YAP1 (0.47) YAP1P2RX7KDM4EPKMCTSL
SCHEMBL18788023 0.82 YAP1 (0.60) YAP1P2RX7KDM4EPKML3MBTL1
SCHEMBL20556236 0.82 YAP1 (0.60) YAP1P2RX7KDM4EPKML3MBTL1
SCHEMBL5569616 0.82 YAP1 (0.55) YAP1P2RX7KDM4EPKML3MBTL1
SCHEMBL12249924 0.81 YAP1 (0.62) YAP1P2RX7KDM4EPKML3MBTL1
SCHEMBL18822510 0.81 YAP1 (0.62) YAP1P2RX7KDM4EPKML3MBTL1
SCHEMBL12249929 0.79 YAP1 (0.56) YAP1P2RX7KDM4EPKML3MBTL1
SCHEMBL3008274 0.77 YAP1 (0.60) YAP1P2RX7KDM4EPKMCTSK
SCHEMBL3008280 0.77 YAP1 (0.60) YAP1P2RX7KDM4EPKMCTSK
SCHEMBL12652625 0.77 YAP1 (0.60) YAP1P2RX7KDM4EPKMCTSK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6218365-B1 FOR TREATING OR PREVENTING A THROMBIN-RELATED DISEASE AKZO NOBEL N.V. (NL) 2001-04-17 US disclosed
CN-1212705-A Serine protease inhibitors AKZO NOBEL NV (NL) 1999-03-31 CN disclosed