SCHEMBL29601355

SCHEMBL29601355

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ HIF1A Q16665 1/20 0.35
▸ EPAS1 Q99814 1/20 0.35
▸ SCN9A Q15858 3/20 0.35
▸ PDE2A O00408 5/20 0.35
▸ PDE10A Q9Y233 4/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SCN10A Q9Y5Y9 2/20 0.34
▸ FPR1 P21462 1/20 0.34
▸ FPR2 P25090 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ AGBL2 Q5U5Z8 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL24397912 1.00 POLB (0.36) POLBGAANPC1RAB9AHIF1A
SCHEMBL24801175 0.90 KMT2A (0.38) POLBGAANPC1RAB9AHIF1A
SCHEMBL29600795 0.90 POLB (0.38) POLBGAANPC1RAB9APDE2A
SCHEMBL24398058 0.90 POLB (0.38) POLBGAANPC1RAB9APDE2A
SCHEMBL30304260 0.89 POLB (0.36) POLBGAANPC1RAB9AHIF1A
SCHEMBL24801649 0.89 POLB (0.36) POLBGAANPC1RAB9AHIF1A
SCHEMBL29601380 0.88 POLB (0.37) POLBGAANPC1RAB9ASCN9A
SCHEMBL24397817 0.88 POLB (0.37) POLBGAANPC1RAB9ASCN9A
SCHEMBL24397911 0.88 POLB (0.39) POLBGAANPC1RAB9AHIF1A
SCHEMBL24393950 0.83 PTPN1 (0.36) GAAPDE2AMAPTLMNAALDH1A1

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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