SCHEMBL31541806

SCHEMBL31541806

COC(=O)c1cn(C2CCOCC2)c(=O)c(Br)c1C(C)=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ OPRK1 P41145 4/20 0.38
▸ TP53 P04637 1/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ MGLL Q99685 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ HTR3A P46098 3/20 0.32
▸ BRD4 O60885 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ CNR2 P34972 2/20 0.31
▸ CNR1 P21554 1/20 0.31

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
SCHEMBL31339602 0.91 HSD17B10 (0.35) SMN1; SMN2OPRK1HSD17B10HPGDALDH1A1
SCHEMBL30720464 0.79 OPRK1 (0.39) SMN1; SMN2OPRK1IRAK4HTR3ACNR2
SCHEMBL30720572 0.77 KDM4E (0.36) TP53HPGDALDH1A1BRD4TSHR
SCHEMBL27186169 0.77 OPRK1 (0.42) SMN1; SMN2OPRK1HSD17B10HPGDALDH1A1
SCHEMBL27186210 0.75 IRAK4 (0.35) SMN1; SMN2OPRK1TP53ALDH1A1IRAK4
SCHEMBL25431879 0.73 CA12 (0.38) SMN1; SMN2OPRK1ALDH1A1IRAK4CNR2
SCHEMBL26053358 0.73 OPRK1 (0.38) OPRK1HSD17B10HPGDALDH1A1ALOX15
SCHEMBL27186174 0.72 BRD9 (0.40) TP53IRAK4HTR3ABRD4
SCHEMBL25433261 0.72 BAZ2B (0.39) OPRK1TP53HSD17B10HPGDALDH1A1
SCHEMBL27186173 0.72 ALDH1A1 (0.45) OPRK1HSD17B10HPGDALDH1A1ALOX15

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-2025090809-A1 MACROCYCLIC HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2025-05-01 — — WO disclosed
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