SCHEMBL5693735

SCHEMBL5693735

CC(C)(C)c1ccc(CC=NOCCOc2ccc(C(=O)O)c(O)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.44
NR4A2 P43354 2/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
NR4A1 P22736 1/20 0.42
NR4A3 Q92570 1/20 0.42
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SPHK2 Q9NRA0 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39
MAOB P27338 2/20 0.39
PPARD Q03181 1/20 0.38
CYP2D6 P10635 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL5693732 1.00 XDH (0.44) XDHNR4A2RXRARXRBNR4A1
SCHEMBL5693733 0.89 NR1H4 (0.47) NR4A2RXRARXRBNR4A1NR4A3
SCHEMBL5693736 0.89 NR1H4 (0.47) NR4A2RXRARXRBNR4A1NR4A3
SCHEMBL5693705 0.87 MAOB (0.48) MAOBMCL1
SCHEMBL4826388 0.85 XDH (0.46) XDHKDM4EMEN1POLBMAPT
SCHEMBL4826380 0.85 XDH (0.46) XDHKDM4EMEN1POLBMAPT
SCHEMBL8069493 0.83 XDH (0.56) XDHNR4A2RXRARXRBNR4A1
SCHEMBL8067312 0.79 XDH (0.55) XDHNR4A2RXRARXRBNR4A1
SCHEMBL4826453 0.79 XDH (0.46) XDHNR4A2RXRARXRBNR4A1
SCHEMBL4826442 0.79 XDH (0.46) XDHNR4A2RXRARXRBNR4A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663189-A1 4-(PHENYL-ETHYLIDENEAMINOXY-PROPOXY)-PHENYL-ACETIC ACID DERIVATIVES AND RELATED COMPOUNDS AS PAI-1 INHIBITORS FOR THE TREATMENT OF IMPAIREMENT OF THE FIBRINOLYTIC SYSTEM AND OF THROMBISIS Wyeth (US) 2006-06-07 EP claimed
WO-2005030193-A1 4-(PHENYL-ETHYLIDENEAMINOXY-PROPOXY) -PHENYL-ACETIC ACID DERIVATIVES AND RELATED COMPOUNDS AS PAI-1 INHIBITORS FOR THE TREATMENT OF IMPAIRMENT OF THE FIBRINOLYTIC SYSTEM AND OF THROMBOSIS WYETH (US) 2005-04-07 WO claimed
EP-1663189-A1 4-(PHENYL-ETHYLIDENEAMINOXY-PROPOXY)-PHENYL-ACETIC ACID DERIVATIVES AND RELATED COMPOUNDS AS PAI-1 INHIBITORS FOR THE TREATMENT OF IMPAIREMENT OF THE FIBRINOLYTIC SYSTEM AND OF THROMBISIS Wyeth (US) 2006-06-07 EP disclosed
WO-2005030193-A1 4-(PHENYL-ETHYLIDENEAMINOXY-PROPOXY) -PHENYL-ACETIC ACID DERIVATIVES AND RELATED COMPOUNDS AS PAI-1 INHIBITORS FOR THE TREATMENT OF IMPAIRMENT OF THE FIBRINOLYTIC SYSTEM AND OF THROMBOSIS WYETH (US) 2005-04-07 WO disclosed