SCHEMBL8086329

SCHEMBL8086329

COC(=O)C1(C)CCC(C)C(=O)N1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.35
POLB P06746 2/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HSD17B10 Q99714 2/20 0.32
HPGD P15428 1/20 0.32
GAA P10253 1/20 0.30
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CCR2 P41597 1/20 0.30

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
SCHEMBL9851989 0.72 KDM4E (0.38) KDM4EPOLBMAPTALDH1A1KMT2A
SCHEMBL17137666 0.72 KDM4E (0.38) KDM4EPOLBMAPTALDH1A1KMT2A
SCHEMBL20658012 0.70 SMN1; SMN2 (0.36) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL24112225 0.70 CRBN (0.31) ALDH1A1CRBN
SCHEMBL24112723 0.70 CRBN (0.31) ALDH1A1CRBN
SCHEMBL19584730 0.69 KDM4E (0.36) KDM4EPOLBMAPTALDH1A1KMT2A
SCHEMBL11757969 0.69 KDM4E (0.47) KDM4EPOLBMAPTALDH1A1KMT2A
SCHEMBL24112818 0.67
SCHEMBL8089735 0.67 CYP1A2 (0.35) KDM4EPOLBMAPTALDH1A1KMT2A
SCHEMBL24112224 0.66 CRBN (0.31) CRBN

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-2009013535-A1 2-AZABICYCLO(2.2.2)OCTANE DERIVATIVES AS MODULATORS OF THE GLYCINE TRANSPORTER I RECEPTOR ASTRAZENECA AB (SE) 2009-01-29 WO disclosed