SCHEMBL7296705

SCHEMBL7296705

CC(C)(C)OC(=O)CN1CCN[C@@H](Cc2ccc(OC(C)(C)C)cc2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 2/20 0.47
PLA2G5 P39877 2/20 0.47
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
POLB P06746 2/20 0.36
PKM P14618 2/20 0.35
GAA P10253 1/20 0.35
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
F2 P00734 2/20 0.34
F10 P00742 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.32
P2RX7 Q99572 1/20 0.32

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
SCHEMBL7296713 1.00 PLA2G10 (0.47) PLA2G10PLA2G5OPRM1OPRL1POLB
SCHEMBL7285097 0.88 PLA2G10 (0.60) PLA2G10PLA2G5OPRM1OPRL1POLB
Hydrochloric Acid SCHEMBL7285100 0.87 PLA2G10 (0.59) PLA2G10PLA2G5OPRM1OPRL1POLB
Hydrochloric Acid SCHEMBL7285090 0.87 PLA2G10 (0.59) PLA2G10PLA2G5OPRM1OPRL1POLB
SCHEMBL7278907 0.79 PLA2G10 (0.45) PLA2G10PLA2G5OPRM1OPRL1POLB
Hydrochloric Acid SCHEMBL7278550 0.78 PLA2G10 (0.44) PLA2G10PLA2G5POLBPKMGAA
SCHEMBL6181334 0.77 PLA2G10 (0.53) PLA2G10PLA2G5POLBPKMGAA
Oxalic Acid SCHEMBL7298024 0.77 PLA2G10 (0.41) PLA2G10PLA2G5OPRM1OPRL1POLB
Oxalic Acid SCHEMBL7298013 0.77 PLA2G10 (0.41) PLA2G10PLA2G5OPRM1OPRL1POLB
SCHEMBL7296969 0.76 PLA2G10 (0.43) PLA2G10PLA2G5POLBPKMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0643072-B1 2-Piperazinone compounds and their use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-02-24 EP disclosed
US-5550131-A ANTITHROMBOTIC AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-08-27 US disclosed
EP-0643072-A1 2-Piperazinone compounds and their use Takeda Chemical Industries, Ltd. (JP) 1995-03-15 EP disclosed