SCHEMBL4629109

SCHEMBL4629109

CCOC(=O)c1oc2ccc(C)c(O)c2c1C

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.65
NPC1 O15118 2/20 0.65
MAPT P10636 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.61
KDM4E B2RXH2 5/20 0.56
HSD17B10 Q99714 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.54
NMT2 O60551 6/20 0.47
NMT1 P30419 6/20 0.47
AHR P35869 1/20 0.47
ADRB2 P07550 3/20 0.46
ADRB1 P08588 2/20 0.46
ADRB3 P13945 2/20 0.46
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PLK1 P53350 1/20 0.45
HIF1A Q16665 1/20 0.45

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
SCHEMBL3608031 0.88 RAB9A (0.65) RAB9ANPC1MAPTL3MBTL1KDM4E
SCHEMBL10738691 0.88 RAB9A (0.74) RAB9ANPC1MAPTL3MBTL1KDM4E
SCHEMBL10743101 0.85 RAB9A (0.62) RAB9ANPC1MAPTL3MBTL1KDM4E
SCHEMBL3610943 0.85 RAB9A (0.62) RAB9ANPC1MAPTL3MBTL1KDM4E
SCHEMBL6871537 0.85 RAB9A (0.62) RAB9ANPC1MAPTL3MBTL1KDM4E
SCHEMBL3614948 0.85 RAB9A (0.62) RAB9ANPC1MAPTL3MBTL1KDM4E
SCHEMBL10738818 0.84 RAB9A (0.60) RAB9ANPC1MAPTL3MBTL1KDM4E
SCHEMBL10741846 0.84 RAB9A (0.60) RAB9ANPC1MAPTL3MBTL1KDM4E
SCHEMBL3608901 0.84 RAB9A (0.60) RAB9ANPC1MAPTL3MBTL1KDM4E
SCHEMBL9868567 0.83 RAB9A (0.59) RAB9ANPC1MAPTL3MBTL1KDM4E

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-1981880-A2 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-22 EP disclosed
WO-2007085556-A2 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 WO disclosed