SCHEMBL6198517

SCHEMBL6198517

O=C1CCc2cc(O)ccc21.O=C1CCc2cc(OC3CCOCC3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.48
MAOA P21397 2/20 0.48
PRKCI P41743 1/20 0.48
MAPK14 Q16539 1/20 0.47
HSD17B1 P14061 1/20 0.46
PBRM1 Q86U86 1/20 0.43
MIF P14174 3/20 0.41
HRH3 Q9Y5N1 5/20 0.41
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ESR1 P03372 1/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
APP P05067 1/20 0.39
CYP26A1 O43174 1/20 0.39

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
SCHEMBL4813615 0.92 MAPK14 (0.52) MAOBMAPK14HRH3CASP1CASP7
SCHEMBL3965663 0.80 PTGS2 (0.51) MAOBMAOAHRH3CASP1CASP7
SCHEMBL26767258 0.77 PRMT5 (0.41) MAOBMAOAMAPK14PRMT5WDR77
SCHEMBL26767586 0.77 MAPK14 (0.39) MAPK14ESR1PRMT5WDR77APP
SCHEMBL6219966 0.77 MAOB (0.48) MAOBMAOAPRKCIHSD17B1PBRM1
SCHEMBL389710 0.76 MAOB (0.78) MAOBMAOAPRKCIHSD17B1PBRM1
SCHEMBL4138741 0.76 MAPK14 (0.60) MAPK14HRH3
SCHEMBL11741286 0.74 MAOA (0.54) MAOBMAOAPRKCIHSD17B1HRH3
SCHEMBL4403542 0.74 CASP1 (0.44) MAOBHSD17B1HRH3CASP1CASP7
SCHEMBL14603517 0.73 LIPG (0.45) HRH3ESR1APP

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-1603885-A1 FUSED TRI AND TETRA-CYCLIC PYRAZOLE KINASE INHIBITORS Abbott Laboratories (US) 2005-12-14 EP disclosed
WO-2004080973-A1 FUSED TRI AND TETRA-CYCLIC PYRAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-09-23 WO disclosed