SCHEMBL4794338

SCHEMBL4794338

COc1cc2c(c(-c3ccc(F)cc3F)c1)O[CH]C2

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.41
NQO2 P16083 1/20 0.35
AMY1A P0DUB6 1/20 0.34
MAOB P27338 1/20 0.33
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
KCNH2 Q12809 1/20 0.32
TDP2 O95551 1/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NFE2L2 Q16236 1/20 0.31

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
SCHEMBL4759176 0.89 MAPK14 (0.36) MAPK14NQO2MAOBNFE2L2
SCHEMBL4772006 0.80 TP53 (0.34) MAPK14NPC1GAARAB9ASMN1; SMN2
SCHEMBL4964977 0.79 TDP2 (0.33) TDP2
SCHEMBL4713338 0.77 GPBAR1 (0.34) TDP2
SCHEMBL4596623 0.76 MAPK14 (0.40) MAPK14MAOBHTR2A
SCHEMBL4760683 0.76 CA12 (0.41) TDP2NPC1GAARAB9ASMN1; SMN2
SCHEMBL4596617 0.75 MAPK14 (0.39) MAPK14NQO2AMY1AMAOBGAA
SCHEMBL4768176 0.75 PTGS2 (0.39) TDP2NPC1RAB9ASMN1; SMN2
SCHEMBL5595895 0.75 MAPT (0.38) NPC1GAARAB9ASMN1; SMN2
SCHEMBL5605458 0.74 MAPK14 (0.38) MAPK14AMY1AMAOBGAA

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-1871356-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-01-02 EP disclosed
EP-1871354-A1 TREATMENT OF PAIN Wyeth (US) 2008-01-02 EP disclosed
WO-2006116170-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF WYETH (US) 2006-11-02 WO disclosed
WO-2006116171-A1 TREATMENT OF PAIN WYETH (US) 2006-11-02 WO disclosed