SCHEMBL25866966

SCHEMBL25866966

CC(C)(C)OC(=O)N1CCOCC2(COC2)C1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.63
▸ SMN1; SMN2 Q16637 1/20 0.63
▸ RECQL P46063 1/20 0.51
▸ SCD5 Q86SK9 1/20 0.40
▸ CYP11B2 P19099 1/20 0.39
▸ HDAC2 Q92769 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ ACACB O00763 2/20 0.36
▸ GPR183 P32249 1/20 0.36
▸ CTSD P07339 2/20 0.36
▸ CTSL P07711 2/20 0.36
▸ CTSB P07858 2/20 0.36
▸ CTSS P25774 2/20 0.36
▸ GPR119 Q8TDV5 1/20 0.36
▸ USP30 Q70CQ3 1/20 0.36
▸ RAB9A P51151 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
SCHEMBL31040995 0.87 USP2 (0.55) USP2SMN1; SMN2RECQLSCD5CYP11B2
SCHEMBL31068229 0.86 USP2 (0.51) USP2SMN1; SMN2RECQLSCD5CYP11B2
SCHEMBL25278015 0.85 USP2 (0.51) USP2SMN1; SMN2RECQLSCD5CYP11B2
SCHEMBL31299280 0.83 USP2 (0.61) USP2SMN1; SMN2RECQLHPGDEPHX2
SCHEMBL31299440 0.83 USP2 (0.61) USP2SMN1; SMN2RECQLHPGDEPHX2
SCHEMBL16903431 0.83 USP2 (0.61) USP2SMN1; SMN2RECQLHPGDEPHX2
SCHEMBL15649307 0.83 USP2 (0.61) USP2SMN1; SMN2RECQLSCD5HDAC2
SCHEMBL13452494 0.83 SMN1; SMN2 (0.61) USP2SMN1; SMN2RECQLSCD5CYP11B2
SCHEMBL15817589 0.83 USP2 (0.49) USP2SMN1; SMN2RECQLSCD5CYP11B2
SCHEMBL15119428 0.83 USP2 (0.51) USP2SMN1; SMN2RECQLSCD5CYP11B2

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
WO-2023134656-A1 PEPTIDYL NITRILE COMPOUND AND USE THEREOF 上海壹典医药科技开发有限公司 2023-07-20 — — WO disclosed
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