SCHEMBL8553047

SCHEMBL8553047

CC(C)(C)OC(=O)N=C(N)N(CCc1ccc(O)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 3/20 0.38
KDM4E B2RXH2 2/20 0.35
BLM P54132 1/20 0.34
GRM2 Q14416 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
MIF P14174 1/20 0.33
CA2 P00918 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
ESRRB O95718 2/20 0.32
F13A1 P00488 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 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
SCHEMBL20487133 0.88 MAPT (0.35)
SCHEMBL17894517 0.88 GRM2 (0.38) BLMGRM2MIFCA2L3MBTL1
SCHEMBL2164170 0.85 S1PR1 (0.41) CA2L3MBTL1
SCHEMBL7473461 0.82 ESRRG (0.44) ESRRGKDM4EBLMGRM2OPRM1
SCHEMBL206993 0.81 ACHE (0.34) GRM2L3MBTL1NR1H2NR1H3CTSK
SCHEMBL16216171 0.79 GRM2 (0.41) GRM2NR1H2NR1H3
SCHEMBL20852483 0.79 GRM2 (0.41) GRM2NR1H2NR1H3
SCHEMBL16208901 0.78 PSMD10 (0.35) CA2
SCHEMBL3488741 0.78 L3MBTL1 (0.52) L3MBTL1CTSS
SCHEMBL5834977 0.78 GRM2 (0.38) KDM4EGRM2NR1H2

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
EP-0869949-A1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1998-10-14 EP disclosed
WO-1997017333-A1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-05-15 WO disclosed