SCHEMBL31336522

SCHEMBL31336522

CC(C)(C)OC(=O)N1CCC2(CC/C2=N\[S@@+]([O-])C(C)(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ USP30 Q70CQ3 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ DDB1 Q16531 1/20 0.35
▸ CRBN Q96SW2 1/20 0.35
▸ GPR119 Q8TDV5 5/20 0.35
▸ ATM Q13315 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ EPHX2 P34913 1/20 0.34

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
SCHEMBL29366691 1.00 USP2 (0.38) USP2SMN1; SMN2ALOX15TSHRUSP30
SCHEMBL29959213 0.93 USP2 (0.37) USP2SMN1; SMN2ALOX15TSHRUSP30
SCHEMBL31184416 0.93 USP2 (0.37) USP2SMN1; SMN2ALOX15TSHRUSP30
SCHEMBL20337484 0.93 USP2 (0.37) USP2SMN1; SMN2ALOX15TSHRUSP30
SCHEMBL18320481 0.93 USP2 (0.37) USP2SMN1; SMN2ALOX15TSHRUSP30
SCHEMBL31566827 0.93 USP30 (0.41) USP2SMN1; SMN2ALOX15TSHRUSP30
SCHEMBL18320482 0.85 ESR2 (0.34) USP2SMN1; SMN2USP30MAPTALDH1A1
SCHEMBL23826992 0.84 — —
SCHEMBL23826837 0.84 — —
SCHEMBL30577842 0.81 CHRM2 (0.35) USP2SMN1; SMN2ALOX15TSHRUSP30

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
CN-113302184-B 1,3, 4-Oxadiazolinone compounds and medicaments 日本新药株式会社 2024-11-22 — — CN disclosed
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