SCHEMBL8889679

SCHEMBL8889679

CC(C)Oc1cccc(-c2cc(-c3ccccc3)[nH]n2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.58
POLB P06746 1/20 0.58
GABRA1 P14867 1/20 0.52
GABRG2 P18507 1/20 0.52
GABRB3 P28472 1/20 0.52
GABRA5 P31644 1/20 0.52
GABRA3 P34903 1/20 0.52
HPGDS O60760 1/20 0.49
MAPT P10636 4/20 0.48
NPC1 O15118 2/20 0.48
MAPK1 P28482 1/20 0.48
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
PRKD1 Q15139 2/20 0.46
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 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
SCHEMBL17279966 0.87 RAB9A (0.56) RAB9APOLBHPGDSMAPTNPC1
SCHEMBL8886596 0.84 MAPT (0.64) RAB9APOLBHPGDSMAPTNPC1
SCHEMBL4666632 0.81 MAP4K4 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8891567 0.80 MAPT (0.60) RAB9APOLBHPGDSMAPTNPC1
SCHEMBL20340353 0.79 RAB9A (0.84) RAB9APOLBHPGDSMAPTNPC1
SCHEMBL17280250 0.79 RAB9A (0.53) RAB9APOLBMAPTNPC1MAPK1
SCHEMBL17279967 0.78 RAB9A (0.59) RAB9APOLBHPGDSMAPTNPC1
SCHEMBL1608353 0.77 MAPT (0.63) RAB9APOLBMAPTNPC1MAPK1
SCHEMBL17279977 0.77 MAPT (0.54) RAB9APOLBMAPTNPC1MAPK1
SCHEMBL1181309 0.77 RAB9A (0.77) RAB9APOLBMAPTNPC1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997001551-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-01-16 WO disclosed