SCHEMBL31490571

SCHEMBL31490571

CC(C)(C)OC(=O)N1CCC(c2cc(CO)cc(CO)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.54
KDM4E B2RXH2 2/20 0.54
MAPT P10636 1/20 0.54
GPR119 Q8TDV5 6/20 0.51
NAMPT P43490 1/20 0.49
DPP4 P27487 1/20 0.47
STS P08842 2/20 0.46
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPN6 P29350 1/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PDE4B Q07343 1/20 0.45
HPGD P15428 1/20 0.45
PKM P14618 1/20 0.44

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
SCHEMBL31490599 0.88 THRB (0.53) THRBKDM4EMAPTGPR119NAMPT
SCHEMBL11309026 0.87 NAMPT (0.51) THRBKDM4EMAPTGPR119NAMPT
SCHEMBL2252152 0.86 GPR119 (0.60) THRBKDM4EMAPTGPR119NAMPT
SCHEMBL31683618 0.81 KDM4E (0.56) THRBKDM4EMAPTGPR119NAMPT
SCHEMBL17595292 0.80 PDE4B (0.55) THRBKDM4EMAPTGPR119NAMPT
SCHEMBL18618119 0.80 PDE4B (0.55) THRBKDM4EMAPTGPR119NAMPT
SCHEMBL14141962 0.80 DDB1 (0.53) THRBKDM4EMAPTGPR119NAMPT
SCHEMBL21404023 0.80 ALDH1A1 (0.56) THRBKDM4EMAPTGPR119NAMPT
SCHEMBL20439010 0.80 KDM4E (0.55) THRBKDM4EMAPTGPR119NAMPT
SCHEMBL18617417 0.79 BCL9 (0.48) THRBKDM4EMAPTGPR119NAMPT

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-2025082283-A1 LIGAND COMPOUND OF CYCLOPEPTIDE STRUCTURE, NUCLIDE MARKER THEREOF, PHARMACEUTICAL COMPOSITION, AND USE 四川科伦博泰生物医药股份有限公司 2025-04-24 WO disclosed