SCHEMBL4758658

SCHEMBL4758658

CC(C)(C)OC(=O)N[C@@H]1Cc2ccccc2[C@H]1C(=O)O.NC(=O)[C@@H]1c2ccccc2C[C@H]1NC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.44
ATM Q13315 2/20 0.40
KDM1A O60341 2/20 0.39
MAOB P27338 1/20 0.39
IDO1 P14902 1/20 0.39
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DRD2 P14416 2/20 0.36
NFKB1 P19838 2/20 0.35
NFKB2 Q00653 2/20 0.35
RELA Q04206 2/20 0.35
MEN1 O00255 1/20 0.35
BUB1 O43683 1/20 0.35
BRD9 Q9H8M2 1/20 0.35
GHSR Q92847 5/20 0.34
KCNH2 Q12809 2/20 0.34
OPRM1 P35372 2/20 0.34
NAMPT P43490 1/20 0.34
OPRK1 P41145 1/20 0.34
BTK Q06187 1/20 0.33

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
SCHEMBL14259285 0.92 EPHX2 (0.47) EPHX2ATMKDM1AMAOBIDO1
SCHEMBL5034414 0.92 EPHX2 (0.47) EPHX2ATMKDM1AMAOBIDO1
SCHEMBL7423742 0.91 EPHX2 (0.48) EPHX2ATMKDM1AMAOBIDO1
SCHEMBL4654164 0.91 EPHX2 (0.48) EPHX2ATMKDM1AMAOBIDO1
SCHEMBL14016078 0.91 EPHX2 (0.48) EPHX2ATMKDM1AMAOBIDO1
SCHEMBL4705777 0.84 ATM (0.39) ATMKMT2AMEN1GHSRKCNH2
SCHEMBL4705783 0.84 ATM (0.39) ATMKMT2AMEN1GHSRKCNH2
SCHEMBL14015839 0.80 EPHX2 (0.47) EPHX2ATMKDM1AMAOBIDO1
SCHEMBL4914877 0.80 EPHX2 (0.47) EPHX2ATMKDM1AMAOBIDO1
SCHEMBL14348198 0.77 EPHX2 (0.49) EPHX2ATMKDM1AMAOBKMT2A

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
EP-1658069-B1 HETEROCYCLIC AMIDE DERIVATIVES WHICH POSSESS GLYCOGEN PHOSPHORYLASE INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2008-07-30 EP disclosed