SCHEMBL25043528

SCHEMBL25043528

C=C(CC(=O)OCC(=O)O)C(=O)OC1(c2ccc(C(F)(F)F)cc2)CCC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 9/20 0.35
▸ MAPT P10636 2/20 0.33
▸ PDE2A O00408 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ SLC6A3 Q01959 2/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ PPARA Q07869 2/20 0.32
▸ EPHX2 P34913 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ APP P05067 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
SCHEMBL26942730 0.92 PPARD (0.36) PPARDMAPTPDE2ATHRBSLC6A3
SCHEMBL24394026 0.90 PPARD (0.36) PPARDMAPTPDE2ATHRBSLC6A3
SCHEMBL25042483 0.89 THRB (0.37) PDE2ATHRBSLC6A3SLC6A4EPHX2
SCHEMBL24393983 0.88 PPARD (0.37) PPARDMAPTTHRBALDH1A1SLC6A3
SCHEMBL25043526 0.87 LMNA (0.32) MAPTTHRBALDH1A1SLC6A3SLC6A4
SCHEMBL25043354 0.86 SLC6A3 (0.38) PDE2ATHRBSLC6A3SLC6A4
SCHEMBL24393987 0.84 EPHX2 (0.36) PPARDMAPTPDE2ATHRBALDH1A1
SCHEMBL25043532 0.83 SLC6A3 (0.38) PDE2ATHRBALDH1A1SLC6A3SLC6A4
SCHEMBL24803200 0.82 SLC6A3 (0.38) MAPTPDE2ATHRBSLC6A3SLC6A4
SCHEMBL24394104 0.82 THRB (0.37) PDE2ATHRBSLC6A3SLC6A4EPHX2

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
EP-4384271-A1 DERIVATIVES OF ITACONIC ACID AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Sitryx Therapeutics Limited (GB) 2024-06-19 — — EP disclosed
WO-2023017269-A1 DERIVATIVES OF ITACONIC ACID AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SITRYX THERAPEUTICS LIMITED (GB) 2023-02-16 — — WO disclosed
WO-2023017269-A1 DERIVATIVES OF ITACONIC ACID AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SITRYX THERAPEUTICS LIMITED (GB) 2023-02-16 — — WO disclosed
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