SCHEMBL29664623

SCHEMBL29664623

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.48
SLC13A5 Q86YT5 1/20 0.44
SORT1 Q99523 1/20 0.44
LOX P28300 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
SYK P43405 2/20 0.37
CTSA P10619 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
RORC P51449 1/20 0.36
ALDH1A1 P00352 2/20 0.36
ESR1 P03372 1/20 0.36
CYP3A4 P08684 1/20 0.36
ESR2 Q92731 1/20 0.36
HDAC4 P56524 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
NR2E1 Q9Y466 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL23216720 1.00 FFAR1 (0.48) FFAR1SLC13A5SORT1LOXLOXL2
SCHEMBL23215037 0.93 FFAR1 (0.45) FFAR1SLC13A5SORT1LOXLOXL2
SCHEMBL29664732 0.93 FFAR1 (0.45) FFAR1SLC13A5SORT1LOXLOXL2
SCHEMBL23216919 0.84 SORT1 (0.38) FFAR1SLC13A5SORT1LOXLOXL2
SCHEMBL29664670 0.81 LOX (0.41) FFAR1SLC13A5SORT1LOXLOXL2
SCHEMBL23215087 0.81 LOX (0.41) FFAR1SLC13A5SORT1LOXLOXL2
SCHEMBL29664692 0.80 LOX (0.45) FFAR1SLC13A5SORT1LOXLOXL2
SCHEMBL23215152 0.80 LOX (0.45) FFAR1SLC13A5SORT1LOXLOXL2
SCHEMBL24094523 0.78 SORT1 (0.46) FFAR1SLC13A5SORT1LOXLOXL2
SCHEMBL30341084 0.78 SORT1 (0.46) FFAR1SLC13A5SORT1LOXLOXL2

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