SCHEMBL6026752

SCHEMBL6026752

COC(=O)C1(C)C(O)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
EPHX1 P07099 1/20 0.37
HPGD P15428 1/20 0.35
EPHX2 P34913 2/20 0.35
ALDH1A1 P00352 1/20 0.35
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RECQL P46063 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN6 P29350 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
HSD11B1 P28845 1/20 0.33
PREP P48147 1/20 0.33
STS P08842 1/20 0.32

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
SCHEMBL6026756 1.00 CHRM2 (0.39) CHRM2CHRM1CHRM3EPHX1HPGD
SCHEMBL13125666 1.00 CHRM2 (0.39) CHRM2CHRM1CHRM3EPHX1HPGD
SCHEMBL974483 1.00 CHRM2 (0.39) CHRM2CHRM1CHRM3EPHX1HPGD
SCHEMBL4370463 1.00 CHRM2 (0.39) CHRM2CHRM1CHRM3EPHX1HPGD
SCHEMBL28044757 0.85 EPHX1 (0.37) CHRM2CHRM1CHRM3EPHX1HPGD
SCHEMBL28735688 0.85 CHRM2 (0.41) CHRM2CHRM1CHRM3EPHX1HPGD
SCHEMBL29519744 0.85 CHRM2 (0.41) CHRM2CHRM1CHRM3EPHX1HPGD
SCHEMBL25348441 0.85 ALDH1A1 (0.38) CHRM2CHRM1CHRM3EPHX1HPGD
SCHEMBL30782513 0.85 ALDH1A1 (0.38) CHRM2CHRM1CHRM3EPHX1HPGD
SCHEMBL24069211 0.80 CHRM2 (0.44) CHRM2CHRM1CHRM3EPHX1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1506178-A4 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2006-05-24 EP disclosed
EP-1506178-A2 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION Bristol-Myers Squibb Company (US) 2005-02-16 EP disclosed
WO-2003096980-A2 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-11-27 WO disclosed