SCHEMBL31422774

SCHEMBL31422774

CCOC(=O)c1cc2ccc(C3CCC3)c(OCC3CCC3)c2[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CNR2 P34972 6/20 0.40
▸ KDM4E B2RXH2 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ GAA P10253 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ PDE3B Q13370 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ MAPK1 P28482 1/20 0.35

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
SCHEMBL31422872 0.87 CNR2 (0.46) CNR2
SCHEMBL31423276 0.83 ALDH1A1 (0.45) ALDH1A1L3MBTL1LMNAMAPTCNR2
SCHEMBL31422874 0.78 CNR2 (0.41) ALDH1A1CNR2KDM4E
SCHEMBL31423041 0.78 CNR2 (0.41) LMNACNR2MEN1KMT2APOLB
SCHEMBL31422912 0.71 CNR2 (0.36) ALDH1A1CNR2
SCHEMBL31423089 0.70 MAOB (0.51) ALDH1A1L3MBTL1LMNAMAPTKDM4E
SCHEMBL31422768 0.70 MAOB (0.53) ALDH1A1L3MBTL1LMNAMAPTKDM4E
SCHEMBL31422779 0.69 CNR2 (0.42) ALDH1A1CNR2KDM4EHSD17B10GAA
SCHEMBL31422835 0.68 ALDH1A1 (0.54) ALDH1A1L3MBTL1LMNAMAPTKDM4E
SCHEMBL6339142 0.67 ALDH1A1 (0.53) ALDH1A1L3MBTL1LMNAMAPTCNR2

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-2025085233-A1 NOVEL DERIVATIVES OF QUINOLINONES, AND COMPOSITIONS AND METHODS THEREOF ENSEM THERAPEUTICS, INC. (US) 2025-04-24 — — WO disclosed
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