SCHEMBL8778522

SCHEMBL8778522

[CH2]CCCOc1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
MAOB P27338 1/20 0.44
AOC3 Q16853 1/20 0.44
LTA4H P09960 6/20 0.42
CHRM5 P08912 1/20 0.40
EPHX2 P34913 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP14 P50281 1/20 0.39
FFAR1 O14842 2/20 0.39
FFAR4 Q5NUL3 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SCN5A Q14524 2/20 0.38
KCNH2 Q12809 1/20 0.38
SCN9A Q15858 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
SCHEMBL1044621 0.94 MAOB (0.47) MAOBAOC3EPHX2MRGPRX4FFAR1
SCHEMBL1044641 0.89 EPHX2 (0.47) HDAC1HDAC2MAOBAOC3EPHX2
SCHEMBL8778594 0.88 TSHR (0.42) HDAC1HDAC2LTA4HCHRM5EPHX2
SCHEMBL1046561 0.87 EPHX2 (0.46) HDAC1HDAC2MAOBAOC3EPHX2
SCHEMBL8778595 0.87 EPHX2 (0.46) HDAC1HDAC2MAOBAOC3EPHX2
SCHEMBL8778597 0.87 EPHX2 (0.46) HDAC1HDAC2MAOBAOC3EPHX2
SCHEMBL1045849 0.85 MAOB (0.45) MAOBAOC3CHRM5EPHX2MRGPRX4
SCHEMBL5535120 0.81 EPHX2 (0.47) LTA4HEPHX2MMP2MMP9MMP14
SCHEMBL8955539 0.81 HDAC1 (0.50) HDAC1HDAC2MAOBAOC3LTA4H
SCHEMBL5542307 0.78 LTA4H (0.45) LTA4HEPHX2MMP2MMP9MMP14

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-0574355-B1 Phosphinyloxy propanaminium inner salt derivatives CIBA GEIGY AG (CH) 1997-08-13 EP claimed
EP-0574355-A1 Phosphinyloxy propanaminium inner salt derivatives SANDOZ LTD. (CH) 1993-12-15 EP claimed