SCHEMBL7260840

SCHEMBL7260840

CC(C)(C)OC(=O)N1CCC(CCI)C1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.47
HPGD P15428 1/20 0.46
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
GPR119 Q8TDV5 6/20 0.44
FAAH O00519 1/20 0.44
RECQL P46063 1/20 0.43
EPHX1 P07099 1/20 0.43
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL343699 1.00 NR1H2 (0.47) NR1H2HPGDKDM4EPKMMEN1
SCHEMBL32687619 1.00 NR1H2 (0.47) NR1H2HPGDKDM4EPKMMEN1
SCHEMBL310276 0.92 HPGD (0.53) NR1H2HPGDKDM4EPKMMAPT
SCHEMBL7256012 0.91 MEN1 (0.52) NR1H2HPGDMEN1ALDH1A1MAPT
SCHEMBL32687738 0.91 GPR119 (0.48) NR1H2HPGDKDM4EPKMMEN1
SCHEMBL5279948 0.90 GPR119 (0.49) NR1H2HPGDKDM4EPKMMEN1
SCHEMBL7926868 0.88 NR1H2 (0.49) NR1H2HPGDKDM4EPKMMEN1
SCHEMBL633472 0.88 NR1H2 (0.49) NR1H2HPGDKDM4EPKMMEN1
SCHEMBL633471 0.88 NR1H2 (0.49) NR1H2HPGDKDM4EPKMMEN1
SCHEMBL7259854 0.87 NR1H2 (0.55) NR1H2HPGDKDM4EPKMMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024003533-A1 PROTACS FOR TARGETED DEGRADATION OF KAT2A AND KAT2B FOR THE TREATMENT OF CANCER UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2024-01-04 WO disclosed
WO-2003013526-A1 ANTICOAGULANT COMPOUNDS MERCK & CO. INC. (US) 2003-02-20 WO disclosed