SCHEMBL29601146

SCHEMBL29601146

C=C(CC(=O)OC1(c2ccc(C(F)(F)F)c(F)c2)CCC1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC3 O15379 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ PDE2A O00408 10/20 0.38
▸ KCNN4 O15554 2/20 0.34
▸ AKR1C3 P42330 1/20 0.32
▸ AKR1C2 P52895 1/20 0.32
▸ AKR1C1 Q04828 1/20 0.32
▸ APP P05067 1/20 0.32
▸ CYP11B1 P15538 2/20 0.32
▸ CYP11B2 P19099 2/20 0.32
▸ KIF11 P52732 1/20 0.32
▸ TRPV1 Q8NER1 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
SCHEMBL24397909 1.00 HDAC1 (0.40) HDAC1HDAC3HDAC2HDAC6PDE2A
SCHEMBL24801664 0.90 HDAC1 (0.39) HDAC1HDAC3HDAC2HDAC6PDE2A
SCHEMBL24801647 0.88 HDAC1 (0.38) HDAC1HDAC3HDAC2HDAC6PDE2A
SCHEMBL24397807 0.88 SLC6A2 (0.36) TRPV1
SCHEMBL29601371 0.88 SLC6A2 (0.36) TRPV1
SCHEMBL24398054 0.85 — —
SCHEMBL25043232 0.84 HDAC1 (0.40) HDAC1HDAC3HDAC2HDAC6PDE2A
SCHEMBL24394104 0.82 THRB (0.37) HDAC1HDAC3HDAC2HDAC6PDE2A
SCHEMBL24397872 0.80 SLC6A3 (0.39) HDAC1HDAC3HDAC2HDAC6PDE2A
SCHEMBL24397786 0.80 APP (0.38) PDE2AAPPKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4359390-A1 ACRYLAMIDE DERIVATIVES USEFUL AS ANTI-INFLAMMATORY AGENTS Sitryx Therapeutics Limited (GB) 2024-05-01 — — EP disclosed
EP-4237404-A1 NOVEL COMPOUNDS Sitryx Therapeutics Limited (GB) 2023-09-06 — — EP disclosed
WO-2022269251-A1 ACRYLAMIDE DERIVATIVES USEFUL AS ANTI-INFLAMMATORY AGENTS SITRYX THERAPEUTICS LIMITED (GB) 2022-12-29 — — WO disclosed
WO-2022090724-A1 NOVEL COMPOUNDS SITRYX THERAPEUTICS LIMITED (GB) 2022-05-05 — — WO disclosed
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