SCHEMBL24801649

SCHEMBL24801649

C=C(CC(=O)OC1(c2ccc(C(F)(F)F)cn2)COC1)C(=O)NC

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ PDE2A O00408 6/20 0.35
▸ PDE10A Q9Y233 5/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ SCN9A Q15858 3/20 0.35
▸ SCN10A Q9Y5Y9 2/20 0.35
▸ HIF1A Q16665 1/20 0.34
▸ EPAS1 Q99814 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPY5R Q15761 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 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
SCHEMBL30304260 1.00 POLB (0.36) POLBGAAPDE2APDE10AHPGD
SCHEMBL24802230 0.89 POLB (0.37) POLBGAAPDE2APDE10AHPGD
SCHEMBL30304261 0.89 POLB (0.37) POLBGAAPDE2APDE10AHPGD
SCHEMBL29601355 0.89 POLB (0.36) POLBGAAPDE2APDE10AHPGD
SCHEMBL24397912 0.89 POLB (0.36) POLBGAAPDE2APDE10AHPGD
SCHEMBL24801175 0.88 KMT2A (0.38) POLBGAAPDE2APDE10AHPGD
SCHEMBL24397911 0.87 POLB (0.39) POLBGAAPDE2APDE10AHPGD
SCHEMBL24802252 0.84 SLC6A4 (0.34) POLBGAAPDE2ASMN1; SMN2MAPT
SCHEMBL24398058 0.78 POLB (0.38) POLBGAAPDE2APDE10AHPGD
SCHEMBL29600795 0.78 POLB (0.38) POLBGAAPDE2APDE10AHPGD

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-2022269251-A1 ACRYLAMIDE DERIVATIVES USEFUL AS ANTI-INFLAMMATORY AGENTS SITRYX THERAPEUTICS LIMITED (GB) 2022-12-29 — — WO disclosed
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