SCHEMBL29664670

SCHEMBL29664670

COc1cc(C(F)(F)CCCO)ccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
SORT1 Q99523 1/20 0.37
SLC13A5 Q86YT5 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
FFAR1 O14842 1/20 0.33
NR2E1 Q9Y466 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
TLR8 Q9NR97 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
ACVR2A P27037 1/20 0.31
TGFBR2 P37173 1/20 0.31

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
SCHEMBL23215087 1.00 LOX (0.41) LOXLOXL2SORT1SLC13A5GABRA1
SCHEMBL23215152 0.84 LOX (0.45) LOXLOXL2SORT1SLC13A5GABRA1
SCHEMBL29664692 0.84 LOX (0.45) LOXLOXL2SORT1SLC13A5GABRA1
SCHEMBL29664732 0.83 FFAR1 (0.45) LOXLOXL2SORT1SLC13A5FFAR1
SCHEMBL23215037 0.83 FFAR1 (0.45) LOXLOXL2SORT1SLC13A5FFAR1
SCHEMBL23214882 0.82 LOX (0.38) LOXLOXL2SORT1SLC13A5GABRA1
SCHEMBL29664648 0.82 LOX (0.38) LOXLOXL2SORT1SLC13A5GABRA1
SCHEMBL23216720 0.81 FFAR1 (0.48) LOXLOXL2SORT1SLC13A5FFAR1
SCHEMBL29664623 0.81 FFAR1 (0.48) LOXLOXL2SORT1SLC13A5FFAR1
SCHEMBL23216869 0.79 LOX (0.35) LOXLOXL2SORT1SLC13A5GABRA1

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