SCHEMBL30939011

SCHEMBL30939011

Cn1c(=O)[nH]c2ccc(OCC(=O)OC(C)(C)C)cc21

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 7/20 0.54
▸ PSEN1 P49768 2/20 0.48
▸ PSEN2 P49810 2/20 0.48
▸ APH1B Q8WW43 2/20 0.48
▸ NCSTN Q92542 2/20 0.48
▸ APH1A Q96BI3 2/20 0.48
▸ PSENEN Q9NZ42 2/20 0.48
▸ LMNA P02545 1/20 0.43
▸ CNR1 P21554 1/20 0.42
▸ PDE3B Q13370 5/20 0.41
▸ PDE3A Q14432 5/20 0.41
▸ PDE2A O00408 4/20 0.41
▸ P2RY12 Q9H244 3/20 0.41
▸ TNFRSF1A P19438 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ PGR P06401 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL27265869 0.90 MAOB (0.51) MAOBPSEN1PSEN2APH1BNCSTN
SCHEMBL31601553 0.85 MAOB (0.56) MAOBPSEN1PSEN2APH1BNCSTN
SCHEMBL30919751 0.79 MAPT (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31033375 0.79 MAOB (0.54) MAOBPDE3BPDE3APDE2AP2RY12
SCHEMBL7403771 0.77 MAOB (0.67) MAOBLMNAPDE3BPDE3APDE2A
SCHEMBL30952863 0.76 DDB1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30289054 0.76 GABRA1 (0.50) MAOBLMNAPGRKDM4EALDH1A1
SCHEMBL25206674 0.74 PTPN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13954885 0.74 MAOB (0.67) MAOBLMNAPDE3BPDE3APDE2A
SCHEMBL12207033 0.72 PSMB8 (0.49) MAOBLMNAPGRALDH1A1

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-4630414-A1 TARGETED PROTEIN DEGRADATION USING BIFUNCTIONAL COMPOUNDS THAT BIND UBIQUITIN LIGASE AND TARGET MCL-1 PROTEIN Captor Therapeutics S.A. (PL) 2025-10-15 — — EP disclosed
WO-2024121256-A1 TARGETED PROTEIN DEGRADATION USING BIFUNCTIONAL COMPOUNDS THAT BIND UBIQUITIN LIGASE AND TARGET MCL-1 PROTEIN CAPTOR THERAPEUTICS S.A. (PL) 2024-06-13 — — WO disclosed
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