SCHEMBL31088727

SCHEMBL31088727

CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)OC2O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ GPR119 Q8TDV5 2/20 0.41
▸ RECQL P46063 1/20 0.41
▸ NAMPT P43490 7/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ DDB1 Q16531 1/20 0.40
▸ CRBN Q96SW2 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ EPHX2 P34913 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
SCHEMBL23145355 0.78 USP2 (0.45) USP2SMN1; SMN2GPR119RECQLNAMPT
SCHEMBL1344048 0.77 USP2 (0.50) USP2SMN1; SMN2GPR119RECQLNAMPT
SCHEMBL24188210 0.77 USP2 (0.51) USP2SMN1; SMN2GPR119RECQLNAMPT
SCHEMBL20618024 0.75 HPGD (0.46) USP2SMN1; SMN2GPR119RECQLKDM4E
SCHEMBL5857800 0.75 USP2 (0.49) USP2SMN1; SMN2GPR119RECQLKDM4E
SCHEMBL38665956 0.75 USP2 (0.45) USP2SMN1; SMN2GPR119RECQLNAMPT
SCHEMBL30295739 0.75 USP2 (0.45) USP2SMN1; SMN2GPR119RECQLNAMPT
SCHEMBL21952178 0.75 USP2 (0.45) USP2SMN1; SMN2GPR119RECQLNAMPT
SCHEMBL18330199 0.75 USP2 (0.45) USP2SMN1; SMN2GPR119RECQLNAMPT
SCHEMBL26822575 0.75 USP2 (0.45) USP2SMN1; SMN2GPR119RECQLNAMPT

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-2024175907-A1 MACROCYCLIC ALPHA4BETA7 INTEGRIN INHIBITORS C4X DISCOVERY LIMITED (GB) 2024-08-29 — — WO disclosed
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