SCHEMBL14861189

SCHEMBL14861189

COc1cc(CCCO)ccn1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LOX P28300 1/20 0.59
▸ LOXL2 Q9Y4K0 1/20 0.59
▸ TNKS2 Q9H2K2 1/20 0.44
▸ GSK3A P49840 2/20 0.43
▸ GSK3B P49841 2/20 0.43
▸ FFAR1 O14842 1/20 0.42
▸ CYP4A11 Q02928 3/20 0.40
▸ PLA2G7 Q13093 1/20 0.39
▸ CYP4F2 P78329 2/20 0.39
▸ SLC13A5 Q86YT5 1/20 0.38
▸ GRM2 Q14416 1/20 0.37
▸ NR3C2 P08235 1/20 0.37
▸ ALOX5 P09917 2/20 0.36
▸ PTGES O14684 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ LTA4H P09960 1/20 0.36
▸ EPHX2 P34913 1/20 0.36

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
SCHEMBL2497237 0.89 LOXL2 (0.62) LOXLOXL2GSK3AGSK3BFFAR1
SCHEMBL21591576 0.83 LOXL2 (0.69) LOXLOXL2GSK3AGSK3BFFAR1
SCHEMBL17752 0.82 LOXL2 (0.67) LOXLOXL2GSK3BFFAR1SLC13A5
SCHEMBL29841247 0.82 LOXL2 (0.67) LOXLOXL2GSK3BFFAR1SLC13A5
SCHEMBL19492384 0.81 LOX (0.57) LOXLOXL2GSK3AGSK3BPLA2G7
SCHEMBL12093687 0.80 LOXL2 (0.65) LOXLOXL2GSK3AGSK3BFFAR1
SCHEMBL14486857 0.79 LOXL2 (0.62) LOXLOXL2GSK3AGSK3BFFAR1
SCHEMBL6218599 0.79 LOXL2 (0.73) LOXLOXL2FFAR1CYP3A4
SCHEMBL22336235 0.79 LOXL2 (0.68) LOXLOXL2GSK3AGSK3BFFAR1
SCHEMBL31583016 0.79 LOXL2 (0.62) LOXLOXL2GSK3AGSK3BFFAR1

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-2013056015-A1 ISOINDOLINONE AND PYRROLOPYRIDINONE DERIVATIVES AS AKT INHIBITORS INCYTE CORPORATION (US) 2013-04-18 — — WO disclosed
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