SCHEMBL29243367

SCHEMBL29243367

Cc1cc(-c2cc(C(=O)N3CCC(C(=O)O)CC34CC4)n[nH]2)c(F)cn1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 13/20 0.33
▸ TLR7 Q9NYK1 13/20 0.33
▸ TLR9 Q9NR96 10/20 0.33
▸ TBK1 Q9UHD2 1/20 0.32
▸ KDM5A P29375 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PARP1 P09874 1/20 0.30
▸ IDH1 O75874 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
SCHEMBL24424506 1.00 TLR8 (0.33) TLR8TLR7TLR9TBK1KDM5A
SCHEMBL29585034 1.00 TLR8 (0.33) TLR8TLR7TLR9TBK1KDM5A
SCHEMBL29584400 1.00 TLR8 (0.33) TLR8TLR7TLR9TBK1KDM5A
SCHEMBL24424507 1.00 TLR8 (0.33) TLR8TLR7TLR9TBK1KDM5A
SCHEMBL29584316 1.00 TLR8 (0.33) TLR8TLR7TLR9TBK1KDM5A
SCHEMBL25090954 0.92 TLR8 (0.36) TLR8TLR7TLR9TBK1KDM5A
SCHEMBL29584646 0.92 TLR8 (0.36) TLR8TLR7TLR9TBK1KDM5A
SCHEMBL24423698 0.90 TLR8 (0.33) TLR8TLR7TLR9TBK1KDM5A
SCHEMBL24423699 0.90 TLR8 (0.33) TLR8TLR7TLR9TBK1KDM5A
SCHEMBL24423697 0.90 TLR8 (0.33) TLR8TLR7TLR9TBK1KDM5A

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-116635380-A PPARgamma modulators and methods of use 卫材R&D管理有限公司 2023-08-22 — — CN disclosed
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