SCHEMBL4772006

SCHEMBL4772006

COc1cc2c(c(-c3cccc(F)c3F)c1)O[CH]C2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.34
ALDH1A1 P00352 7/20 0.33
MAPT P10636 5/20 0.33
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
KDM4E B2RXH2 4/20 0.33
GAA P10253 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
HPGD P15428 2/20 0.33
ALOX12 P18054 1/20 0.33
RPS6KA2 Q15349 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
POLB P06746 1/20 0.32
SLC40A1 Q9NP59 1/20 0.32
MAPK14 Q16539 2/20 0.32
MAPK1 P28482 2/20 0.32
HSD17B10 Q99714 2/20 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
SCHEMBL4794338 0.80 MAPK14 (0.41) NPC1RAB9AGAASMN1; SMN2MAPK14
SCHEMBL4759176 0.80 MAPK14 (0.36) MAPTMAPK14
SCHEMBL5595895 0.80 MAPT (0.38) ALDH1A1MAPTNPC1RAB9AKDM4E
SCHEMBL4762623 0.80 CHRM1 (0.32) NPC1RAB9A
SCHEMBL6374163 0.78 BCAT1 (0.33)
SCHEMBL5080947 0.77 GPBAR1 (0.35)
SCHEMBL4597301 0.77 KDM4E (0.37) TP53ALDH1A1MAPTNPC1RAB9A
SCHEMBL4607851 0.77 DRD1 (0.34) ALDH1A1MAPTNPC1RAB9AKDM4E
SCHEMBL4597300 0.76 KDM4E (0.37) ALDH1A1MAPTNPC1RAB9AKDM4E
SCHEMBL4760683 0.75 CA12 (0.41) ALDH1A1MAPTNPC1RAB9AKDM4E

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 claimed
WO-2006116170-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF WYETH (US) 2006-11-02 WO claimed
EP-1871354-A1 TREATMENT OF PAIN Wyeth (US) 2008-01-02 EP disclosed
WO-2006116171-A1 TREATMENT OF PAIN WYETH (US) 2006-11-02 WO disclosed