SCHEMBL29011982

SCHEMBL29011982

COc1cc(C(=O)O)ncc1OC(F)C(C)C(F)F

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPC6 Q9Y210 5/20 0.38
GPR35 Q9HC97 1/20 0.37
ALOX15 P16050 1/20 0.37
ASPH Q12797 3/20 0.36
KDM4E B2RXH2 3/20 0.36
KDM8 Q8N371 2/20 0.36
P4HTM Q9NXG6 3/20 0.36
KMO O15229 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ECE1 P42892 1/20 0.34

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
SCHEMBL29011970 0.88 TRPC6 (0.38) TRPC6KDM4E
SCHEMBL21045747 0.83 TRPC6 (0.50) TRPC6GPR35ALOX15ASPHKDM4E
SCHEMBL18009392 0.79 GPR35 (0.49) GPR35ALOX15ASPHKDM4EKDM8
SCHEMBL29368707 0.79 GPR35 (0.49) GPR35ALOX15ASPHKDM4EKDM8
SCHEMBL21045923 0.78 TRPC6 (0.55) TRPC6GPR35ALOX15ASPHKDM4E
SCHEMBL21045936 0.78 TRPC6 (0.55) TRPC6GPR35ALOX15ASPHKDM4E
SCHEMBL21045922 0.78 TRPC6 (0.55) TRPC6GPR35ALOX15ASPHKDM4E
SCHEMBL71748 0.77 KMO (0.45) TRPC6GPR35ALOX15ASPHKDM4E
SCHEMBL21045622 0.74 TRPC6 (0.52) TRPC6GPR35ALOX15ASPHKDM4E
SCHEMBL30439836 0.74 TRPC6 (0.52) TRPC6GPR35ALOX15ASPHKDM4E

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-111527078-B Pyridinecarbonyl derivatives and their therapeutic use as TRPC6 inhibitors 勃林格殷格翰国际公司 2023-06-02 CN disclosed