SCHEMBL25233165

SCHEMBL25233165

COc1cc(F)c2c(c1)CN(C(=O)OCCCBr)C2

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.38
TRAP1 Q12931 3/20 0.38
ALDH1A1 P00352 1/20 0.36
CPS1 P31327 2/20 0.34
ABHD6 Q9BV23 4/20 0.34
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
HSP90B1 P14625 1/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
CFTR P13569 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
SCHEMBL25274458 0.89 TRAP1 (0.37) PTGDR2TRAP1CPS1ABHD6FFAR1
SCHEMBL25232673 0.81 ESR1 (0.46) TRAP1ABHD6ESR1ESR2
SCHEMBL25233230 0.77 TRAP1 (0.42) TRAP1CPS1ABHD6ESR1ESR2
SCHEMBL29124891 0.77 ESR2 (0.42) TRAP1ALDH1A1CPS1ABHD6ESR1
SCHEMBL30666315 0.77 ESR2 (0.42) TRAP1ALDH1A1CPS1ABHD6ESR1
SCHEMBL38662452 0.76 PTGDR2 (0.43) PTGDR2ABHD6ESR1
SCHEMBL25424219 0.73 RYR2 (0.44) PTGDR2TRAP1CPS1FFAR1FFAR4
SCHEMBL38665323 0.72 PTGDR2 (0.42) PTGDR2TRAP1ALDH1A1ABHD6HSP90B1
SCHEMBL38662139 0.71 PTGDR2 (0.41) PTGDR2TRAP1HSP90B1ESR1
SCHEMBL25422546 0.71 DPP4 (0.38) PTGDR2TRAP1CPS1CFTR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024032782-A1 VACCINE ADJUVANTS AND USES THEREOF JACOBIO PHARMACEUTICALS CO.LTD. (CN) 2024-02-15 WO disclosed
EP-4313962-A1 NOVEL COMPOUNDS USEFUL AS STING AGONISTS AND USES THEREOF Jacobio Pharmaceuticals Co., Ltd. (CN) 2024-02-07 EP disclosed
WO-2023109942-A1 COMPOUND-LINKER CONSTRUCTS COMPRISING NOVEL COMPOUNDS USEFUL AS STING AGONISTS AND USES THEREOF JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2023-06-22 WO disclosed