SCHEMBL28335166

SCHEMBL28335166

Cc1cc(C2C[C@@H]3CC([C@@H](C)C(=O)O)C[C@@H]3C2)ccn1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.45
▸ TLR8 Q9NR97 14/20 0.37
▸ TLR7 Q9NYK1 14/20 0.37
▸ TLR9 Q9NR96 12/20 0.37
▸ USP30 Q70CQ3 1/20 0.36
▸ FFAR1 O14842 2/20 0.36
▸ PROKR1 Q8TCW9 1/20 0.34
▸ LNPEP Q9UIQ6 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
SCHEMBL28335167 1.00 IDO1 (0.45) IDO1TLR8TLR7TLR9USP30
SCHEMBL21213954 0.84 IDO1 (0.58) IDO1TLR8TLR7TLR9USP30
SCHEMBL22730011 0.84 IDO1 (0.58) IDO1TLR8TLR7TLR9USP30
SCHEMBL29923884 0.84 IDO1 (0.58) IDO1TLR8TLR7TLR9USP30
SCHEMBL17729982 0.84 IDO1 (0.58) IDO1TLR8TLR7TLR9USP30
SCHEMBL29924183 0.84 IDO1 (0.58) IDO1TLR8TLR7TLR9USP30
SCHEMBL21583825 0.80 IDO1 (0.52) IDO1
SCHEMBL28332967 0.80 IDO1 (0.52) IDO1
SCHEMBL28332965 0.80 IDO1 (0.52) IDO1
SCHEMBL21583831 0.77 USP30 (0.44) IDO1TLR8TLR7TLR9USP30

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-110540521-A Octahydro pentalene compound, preparation method and application thereof in medicine and pharmacology BEIJING INNOCARE PHARMA TECH CO LTD 2019-12-06 — — CN disclosed
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