SCHEMBL31422872

SCHEMBL31422872

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 5/20 0.46
▸ RHEB Q15382 1/20 0.38
▸ FEN1 P39748 4/20 0.37
▸ ALOX5AP P20292 3/20 0.37
▸ PARP15 Q460N3 2/20 0.36
▸ PARP10 Q53GL7 2/20 0.36
▸ KDM4A O75164 2/20 0.35
▸ KDM6B O15054 1/20 0.35
▸ KDM4D Q6B0I6 1/20 0.35
▸ KDM3B Q7LBC6 1/20 0.35
▸ HIF1AN Q9NWT6 1/20 0.35
▸ KDM2A Q9Y2K7 1/20 0.35
▸ FABP4 P15090 1/20 0.35
▸ THRA P10827 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ KDM5B Q9UGL1 3/20 0.35
▸ KDM5A P29375 3/20 0.34

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
SCHEMBL31422774 0.87 ALDH1A1 (0.41) CNR2
SCHEMBL31422779 0.81 CNR2 (0.42) CNR2FEN1ALOX5AP
SCHEMBL31423041 0.80 CNR2 (0.41) CNR2
SCHEMBL31423247 0.79 CNR2 (0.40) CNR2FEN1ALOX5APKDM5BKDM5A
SCHEMBL31423086 0.78 CNR2 (0.39) CNR2KDM5BKDM5A
SCHEMBL31423273 0.75 CNR2 (0.43) CNR2
SCHEMBL31422800 0.73 CNR2 (0.36) CNR2KDM5BKDM5A
SCHEMBL31423163 0.73 NOTUM (0.43) CNR2KDM5BKDM5A
SCHEMBL31423057 0.71 SERPINE1 (0.38) —
SCHEMBL31423108 0.70 SMYD3 (0.42) —

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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