SCHEMBL31088239

SCHEMBL31088239

Cc1cccc2c(OCc3ccccc3)cc3c(c12)[C@H](COS(C)(=O)=O)CN3C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 2/20 0.35
GPR119 Q8TDV5 2/20 0.35
CCR8 P51685 1/20 0.35
TLR9 Q9NR96 4/20 0.35
GHSR Q92847 4/20 0.35
TLR7 Q9NYK1 2/20 0.35
ADAM17 P78536 2/20 0.34
TGFBR1 P36897 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
RORC P51449 1/20 0.32

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
SCHEMBL18863855 1.00 NR1H2 (0.35) NR1H2NR1H3GPR119CCR8TLR9
SCHEMBL18863857 1.00 NR1H2 (0.35) NR1H2NR1H3GPR119CCR8TLR9
SCHEMBL17318702 0.90 FFAR4 (0.35) CCR8ADAM17FFAR4
SCHEMBL31088244 0.88 TLR9 (0.37) CCR8TLR9GHSRTLR7ADAM17
SCHEMBL18863853 0.88 TLR9 (0.37) CCR8TLR9GHSRTLR7ADAM17
SCHEMBL18863854 0.88 TLR9 (0.37) CCR8TLR9GHSRTLR7ADAM17
SCHEMBL18863856 0.88 TLR9 (0.37) CCR8TLR9GHSRTLR7ADAM17
SCHEMBL12393037 0.88 ADH1A (0.38) CCR8TLR9GHSRTLR7ADAM17
SCHEMBL31088240 0.88 ADH1A (0.38) CCR8TLR9GHSRTLR7ADAM17
SCHEMBL18863852 0.88 ADH1A (0.38) CCR8TLR9GHSRTLR7ADAM17

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
WO-2024178155-A1 TRANS-CYCLOOCTENE CONJUGATES TAMBO, INC. (US) 2024-08-29 WO disclosed