SCHEMBL7770745

SCHEMBL7770745

O=C(O)OC1=Cc2ccccc2Oc2cc(Cl)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
GPR84 Q9NQS5 1/20 0.42
MAPT P10636 4/20 0.40
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40
TP53 P04637 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 2/20 0.36
NFKB1 P19838 2/20 0.36
RAB9A P51151 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36

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
SCHEMBL9055313 0.84 GPR84 (0.56) LMNAGPR84MAPTDRD2DRD4
SCHEMBL4038906 0.80 LMNA (0.71) LMNAMAPTDRD2DRD4TP53
SCHEMBL7770761 0.74 LMNA (0.44) LMNAGPR84MAPTTDP1NPC1
SCHEMBL7769552 0.72 MAPT (0.43) LMNAGPR84MAPTDRD2DRD4
SCHEMBL2829838 0.71 LMNA (0.59) LMNAMAPTDRD2DRD4TP53
SCHEMBL7769088 0.71 AHR (0.37) GPR84MAPTKDM4EAHRMEN1
SCHEMBL7769086 0.71 GPR84 (0.39) LMNAGPR84CA12CA9
SCHEMBL7770728 0.70 DRD2 (0.43) LMNAGPR84MAPTDRD2DRD4
SCHEMBL9949394 0.68 MAPT (0.48) LMNAMAPTDRD2DRD4TP53
SCHEMBL962986 0.68 MAPT (0.50) LMNAMAPTDRD2DRD4TP53

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-0726265-B1 10-Aminoaliphatyl-dibenz(b,f)oxepins with antineurodegenarative activity NOVARTIS AG (CH) 2001-07-25 EP disclosed
EP-0726265-A1 10-Aminoaliphatyl-dibenz(b,f)oxepins with antineurodegenarative activity CIBA-GEIGY AG (CH) 1996-08-14 EP disclosed