SCHEMBL28901649

SCHEMBL28901649

CC(C)(C)OC(=O)N1CCC(C2(O)CCNCC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.47
RECQL P46063 1/20 0.45
EPHX1 P07099 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GPR119 Q8TDV5 7/20 0.42
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41

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
SCHEMBL23249884 0.90 HPGD (0.53) HPGDRECQLEPHX1KDM4EMAPT
SCHEMBL23783193 0.89 HPGD (0.43) HPGDRECQLEPHX1KDM4EMAPT
SCHEMBL26665781 0.83 HPGD (0.49) HPGDRECQLEPHX1KDM4EMAPT
SCHEMBL34461286 0.83 RECQL (0.48) HPGDRECQLEPHX1KDM4EMAPT
SCHEMBL31140989 0.81 HPGD (0.47) HPGDRECQLEPHX1KDM4EMAPT
SCHEMBL26665784 0.81 HPGD (0.50) HPGDRECQLEPHX1KDM4EMAPT
SCHEMBL26469848 0.79 NR1H2 (0.40) HPGDRECQLEPHX1KDM4EMAPT
SCHEMBL3254458 0.79 EPHX1 (0.54) HPGDRECQLEPHX1KDM4EMAPT
SCHEMBL23797805 0.79 FAAH (0.44) HPGDRECQLEPHX1KDM4EMAPT
SCHEMBL118561 0.77 GPR119 (0.57) HPGDRECQLEPHX1KDM4EMAPT

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-115279370-A Compounds for targeted degradation of BRD9 C4医药公司 2022-11-01 CN disclosed