SCHEMBL29664774

SCHEMBL29664774

COc1cc(C(F)(F)/C=C/C(O)C(C)(C)C)ccn1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 1/20 0.37
LOX P28300 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
ADRB2 P07550 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
AAK1 Q2M2I8 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
DYRK1A Q13627 1/20 0.31
NR2E1 Q9Y466 1/20 0.30

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
SCHEMBL28781272 0.78 LOX (0.41) SORT1LOXLOXL2ADRB2HCRTR1
SCHEMBL23232007 0.77 LOX (0.41) SORT1LOXLOXL2HCRTR1HCRTR2
SCHEMBL23214996 0.76 SORT1 (0.43) SORT1LOXLOXL2HCRTR1HCRTR2
SCHEMBL30265238 0.74 SORT1 (0.38) SORT1LOXLOXL2HCRTR1HCRTR2
SCHEMBL30947592 0.73 LOX (0.46) SORT1LOXLOXL2HCRTR1HCRTR2
SCHEMBL14768850 0.73 LOX (0.46) SORT1LOXLOXL2HCRTR1HCRTR2
SCHEMBL677234 0.71 NOS3 (0.52) SORT1LOXLOXL2ADRB2HCRTR1
SCHEMBL31121348 0.71 NOS3 (0.52) SORT1LOXLOXL2ADRB2HCRTR1
SCHEMBL803416 0.69 LOX (0.48) SORT1LOXLOXL2AAK1GABRA1
SCHEMBL24094523 0.69 SORT1 (0.46) SORT1LOXLOXL2HCRTR1HCRTR2

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
CN-114729044-A Muscarinic acetylcholine M1Receptor antagonists 帕珀莱恩医疗公司 2022-07-08 CN disclosed