SCHEMBL29201749

SCHEMBL29201749

COC(=O)N1CCC(CCC=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.44
ALDH1A1 P00352 1/20 0.39
EPHX1 P07099 1/20 0.38
FAAH O00519 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
THRB P10828 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
BRDT Q58F21 1/20 0.36
GAA P10253 1/20 0.36
CYP2D6 P10635 1/20 0.36
TPSAB1 Q15661 1/20 0.35
TPSD1 Q9BZJ3 1/20 0.35
TPSG1 Q9NRR2 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 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
SCHEMBL9216783 0.85 GAA (0.53) BRD4ALDH1A1KDM4EPKMTHRB
SCHEMBL1576006 0.84 HPGD (0.50) EPHX1FAAHKDM4EPKM
SCHEMBL13451670 0.81 BRD4 (0.50) BRD4EPHX1KDM4EPKMTHRB
SCHEMBL13451380 0.81 BRD4 (0.47) BRD4ALDH1A1EPHX1FAAHKDM4E
SCHEMBL13498638 0.81 BRD4 (0.47) BRD4ALDH1A1EPHX1FAAHKDM4E
SCHEMBL3950205 0.81 EPHX2 (0.39) EPHX1KDM4E
SCHEMBL5250700 0.81 BRD4 (0.42) BRD4ALDH1A1EPHX1FAAHKDM4E
SCHEMBL4472595 0.79 ITGB3 (0.36) GAA
SCHEMBL13597243 0.78 POLB (0.48) BRD4ALDH1A1PKMTHRBATM
SCHEMBL3310103 0.78 BRD4 (0.48) BRD4ALDH1A1EPHX1FAAHKDM4E

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-117917416-A KRAS G12D degradation agent and preparation method and application thereof 上海领泰生物医药科技有限公司 2024-04-23 CN disclosed