SCHEMBL26679443

SCHEMBL26679443

O=C(O)CCC1OC(=O)c2cc(C(F)(F)F)ccc21

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.47
ATM Q13315 1/20 0.46
KDM4E B2RXH2 1/20 0.44
MAOA P21397 4/20 0.42
MAOB P27338 4/20 0.42
KMO O15229 1/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.41
FFAR1 O14842 1/20 0.40

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
SCHEMBL11109275 0.82 MEN1 (0.42) ATMKDM4EKMOPTGDR2
SCHEMBL19302753 0.78 KDM4E (0.55) APEX1KDM4E
SCHEMBL30637086 0.77 ATM (0.76) APEX1ATMKDM4EMAOB
SCHEMBL30637088 0.76 APEX1 (0.54) APEX1ATMKDM4EMAOB
SCHEMBL26679499 0.76 APEX1 (0.54) APEX1ATMKDM4EMAOB
SCHEMBL23013887 0.75 CYP2C19 (0.41)
SCHEMBL30637114 0.75 APEX1 (0.49) APEX1ATMKDM4EMAOB
SCHEMBL10779339 0.74 KDM4E (0.70) KDM4EFFAR1
SCHEMBL31711209 0.72 APEX1 (0.49) APEX1ATMKDM4EMAOB
SCHEMBL30637106 0.72 APEX1 (0.49) APEX1ATMKDM4EMAOB

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-4522595-A2 CATALYST-CONTROLLED SITE-SELECTIVE METHYLENE C-H LACTONIZATION OF DICARBOXYLIC ACIDS The Scripps Research Institute (US) 2025-03-19 EP disclosed
WO-2023220559-A2 CATALYST-CONTROLLED SITE-SELECTIVE METHYLENE C-H LACTONIZATION OF DICARBOXYLIC ACIDS THE SCRIPPS RESEARCH INSTITUTE (US) 2023-11-16 WO disclosed
WO-2023220559-A2 CATALYST-CONTROLLED SITE-SELECTIVE METHYLENE C-H LACTONIZATION OF DICARBOXYLIC ACIDS THE SCRIPPS RESEARCH INSTITUTE (US) 2023-11-16 WO disclosed