SCHEMBL27176453

SCHEMBL27176453

CN1C(=O)CCC(N2C(=O)c3ccc(N4CCN(C(=O)O)CC4)cc3C2=O)C1=O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 6/20 0.48
▸ ALDH1A1 P00352 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ IRAK1 P51617 1/20 0.45
▸ IRAK3 Q9Y616 1/20 0.45
▸ HPGDS O60760 4/20 0.43
▸ HIF1A Q16665 1/20 0.39
▸ HTT P42858 2/20 0.38
▸ POLB P06746 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ KIF11 P52732 3/20 0.36
▸ DDB1 Q16531 1/20 0.36
▸ LMNA P02545 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
SCHEMBL30042811 0.88 CRBN (0.47) CRBNALDH1A1MEN1MAPTALOX15
SCHEMBL26139423 0.88 CRBN (0.47) CRBNALDH1A1MEN1MAPTALOX15
SCHEMBL30694690 0.86 GPR119 (0.45) CRBNALDH1A1MEN1MAPTALOX15
SCHEMBL21907830 0.86 GPR119 (0.45) CRBNALDH1A1MEN1MAPTALOX15
SCHEMBL29522041 0.85 CRBN (0.46) CRBNALDH1A1MEN1MAPTALOX15
SCHEMBL29522052 0.85 CRBN (0.46) CRBNALDH1A1MEN1MAPTALOX15
SCHEMBL24501060 0.84 CRBN (0.54) CRBNALDH1A1MEN1MAPTALOX15
SCHEMBL29648286 0.84 CRBN (0.54) CRBNALDH1A1MEN1MAPTALOX15
SCHEMBL29129961 0.83 IRAK1 (0.47) CRBNALDH1A1MEN1MAPTALOX15
SCHEMBL30996469 0.83 IRAK1 (0.48) CRBNALDH1A1MEN1MAPTALOX15

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4340887-A1 BIFUNCTIONAL PROTAC-TYPE COMPOUNDS TARGETING PXR, METHOD FOR PREPARING SAME, AND THERAPEUTIC USE THEREOF Centre National de la Recherche Scientifique (FR) 2024-03-27 — — EP disclosed
WO-2022243365-A1 BIFUNCTIONAL PROTAC-TYPE COMPOUNDS TARGETING PXR, METHOD FOR PREPARING SAME, AND THERAPEUTIC USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2022-11-24 — — WO disclosed
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