SCHEMBL4455689

SCHEMBL4455689

Cc1ccc(OCC2(C)OC2C)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
DRD2 P14416 2/20 0.38
DRD4 P21917 2/20 0.38
DRD3 P35462 2/20 0.38
WDR5 P61964 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
KCNH2 Q12809 1/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
ACHE P22303 1/20 0.35

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
SCHEMBL7253541 0.83 TDP1 (0.44)
SCHEMBL4461068 0.77 DRD2 (0.40) KDM4EDRD2DRD4DRD3WDR5
SCHEMBL13724052 0.75 HPGD (0.43) KDM4EDRD2DRD4DRD3WDR5
SCHEMBL13724692 0.74 ACACB (0.46) DRD2DRD4DRD3WDR5
SCHEMBL11793991 0.73 DRD2 (0.37) KDM4EDRD2DRD4DRD3WDR5
SCHEMBL28201356 0.72 DRD2 (0.39) KDM4EDRD2DRD4DRD3WDR5
SCHEMBL9440408 0.70 HPGD (0.54) KDM4EDRD2DRD4DRD3WDR5
SCHEMBL12170820 0.69 WDR5 (0.41) DRD2DRD4DRD3WDR5L3MBTL1
SCHEMBL14394864 0.69 DRD2 (0.37) KDM4EDRD2DRD4DRD3WDR5
SCHEMBL15082545 0.68 ALDH1A1 (0.33) L3MBTL1ALDH1A1TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7601448-B2 Polymer electrolyte membrane and fuel cell SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-10-13 US disclosed
US-20030044669-A1 Polymer electrolyte membrane and fuel cell SUMITOMO CHEMICAL COMPANY, LIMITED 2003-03-06 US disclosed
EP-1274147-A2 Polymer electrolyte membrane and fuel cell SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-01-08 EP disclosed