SCHEMBL31013938

SCHEMBL31013938

COC(=O)c1cc2c(c(N[C@H]3CCOC3)c1)CN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 3/20 0.36
▸ NR1H2 P55055 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ ESR2 Q92731 1/20 0.35
▸ DDB1 Q16531 2/20 0.35
▸ CRBN Q96SW2 2/20 0.35
▸ UCHL1 P09936 1/20 0.35
▸ CCR2 P41597 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ HDAC1 Q13547 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.34
▸ NAMPT P43490 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 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
SCHEMBL31013845 0.87 ALDH1A1 (0.43) ALDH1A1DDB1CRBNCCR2HDAC1
SCHEMBL31013977 0.87 ESR2 (0.42) USP30NR1H2ALDH1A1ESR2DDB1
SCHEMBL31014020 0.85 NAMPT (0.36) USP30NR1H2ALDH1A1ESR2DDB1
SCHEMBL31013871 0.85 HDAC1 (0.40) USP30NR1H2ALDH1A1ESR2DDB1
SCHEMBL31013959 0.82 GPR119 (0.38) USP30ALDH1A1DDB1CRBNHDAC1
SCHEMBL24914237 0.82 DDB1 (0.48) USP30ALDH1A1DDB1CRBNUCHL1
SCHEMBL31013893 0.82 DDB1 (0.48) USP30ALDH1A1DDB1CRBNUCHL1
SCHEMBL31014094 0.82 DDB1 (0.48) USP30ALDH1A1DDB1CRBNUCHL1
SCHEMBL30368078 0.82 DDB1 (0.48) USP30ALDH1A1DDB1CRBNUCHL1
SCHEMBL31014023 0.81 HRH3 (0.40) NR1H2ALDH1A1NAMPT

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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