SCHEMBL31013871

SCHEMBL31013871

CC(C)(C)OC(=O)N1Cc2cc(C=O)cc(N[C@H]3CCOC3)c2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.40
▸ DDB1 Q16531 3/20 0.35
▸ CRBN Q96SW2 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ CCR2 P41597 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ NAMPT P43490 2/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ USP30 Q70CQ3 1/20 0.33
▸ NR1H2 P55055 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ EPHX1 P07099 1/20 0.33
▸ USP2 O75604 1/20 0.33

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
SCHEMBL31013977 0.87 ESR2 (0.42) HDAC1DDB1CRBNALDH1A1CCR2
SCHEMBL31013845 0.85 ALDH1A1 (0.43) HDAC1DDB1CRBNALDH1A1CCR2
SCHEMBL31014020 0.85 NAMPT (0.36) HDAC1DDB1CRBNALDH1A1CCR2
SCHEMBL31013938 0.85 USP30 (0.36) HDAC1DDB1CRBNALDH1A1CCR2
SCHEMBL31013959 0.82 GPR119 (0.38) HDAC1DDB1CRBNALDH1A1NPC1
SCHEMBL24914237 0.82 DDB1 (0.48) HDAC1DDB1CRBNALDH1A1NPC1
SCHEMBL31014094 0.82 DDB1 (0.48) HDAC1DDB1CRBNALDH1A1NPC1
SCHEMBL30368078 0.82 DDB1 (0.48) HDAC1DDB1CRBNALDH1A1NPC1
SCHEMBL31013893 0.82 DDB1 (0.48) HDAC1DDB1CRBNALDH1A1NPC1
SCHEMBL31014023 0.81 HRH3 (0.40) ALDH1A1NAMPTNR1H2

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-4651955-A1 INHIBITOR COMPOUNDS Neophore Limited (GB) 2025-11-26 — — EP disclosed
WO-2024153947-A1 INHIBITOR COMPOUNDS Neophore Limited (GB) 2024-07-25 — — WO disclosed
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