SCHEMBL30367270

SCHEMBL30367270

Cc1cc(-c2c(C(C)C)c(CCCC(=O)O)nc3cc(O)ccc23)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.39
DPP4 P27487 10/20 0.38
TRPV3 Q8NET8 1/20 0.34
GRIN2B Q13224 1/20 0.33
FFAR4 Q5NUL3 2/20 0.33

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
SCHEMBL23887735 1.00 FFAR1 (0.39) FFAR1DPP4TRPV3GRIN2BFFAR4
SCHEMBL23887874 0.90 TRPV3 (0.36) FFAR1TRPV3
SCHEMBL23887730 0.88 DPP4 (0.40) DPP4
SCHEMBL30367959 0.88 DPP4 (0.40) DPP4
SCHEMBL23895835 0.87 TRPV3 (0.36) FFAR1TRPV3GRIN2B
SCHEMBL23895850 0.87 TRPV3 (0.35) FFAR1TRPV3GRIN2BFFAR4
SCHEMBL23895839 0.87 TRPV3 (0.35) FFAR1TRPV3GRIN2BFFAR4
SCHEMBL23887836 0.82 TOP1 (0.39) FFAR1GRIN2BFFAR4
SCHEMBL23896266 0.82 DPP4 (0.38) FFAR1DPP4
SCHEMBL23895764 0.82 FFAR1 (0.37) FFAR1DPP4TRPV3GRIN2BFFAR4

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-115697969-A 7-or 8-hydroxy-isoquinoline and 7-or 8-hydroxy-quinoline derivatives as alpha-1 antitrypsin modulators for the treatment of alpha-1 antitrypsin deficiency (AATD) 弗特克斯药品有限公司 2023-02-03 CN disclosed