SCHEMBL6883997

SCHEMBL6883997

CCOC(=O)C1CCCN1C(=O)CCCCC(=O)N1CCC[C@@H]1C(=O)OCC

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 4/20 0.53
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SPHK1 Q9NYA1 1/20 0.44
ACE P12821 1/20 0.43
DPP4 P27487 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL5496855 1.00 FKBP1A (0.53) FKBP1AALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL5496862 1.00 FKBP1A (0.53) FKBP1AALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL5495836 0.94 ACE (0.52) FKBP1AALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL6877311 0.94 ACE (0.52) FKBP1AALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL5495829 0.94 ACE (0.52) FKBP1AALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL3742096 0.90 FKBP1A (0.54) FKBP1AALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL8626274 0.89 FKBP1A (0.56) FKBP1AALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL683426 0.88 FKBP1A (0.51) FKBP1AALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL5492839 0.88 FKBP1A (0.47) FKBP1ASPHK1
SCHEMBL5497946 0.88 FKBP1A (0.47) FKBP1ASPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458680-A1 PRODRUGS TO D-PROLINES F. Hoffmann-La Roche AG (CH) 2004-09-22 EP claimed
WO-2003051836-A1 PRODRUGS TO D-PROLINES F. HOFFMANN-LA ROCHE AG (CH) 2003-06-26 WO claimed
EP-1458680-A1 PRODRUGS TO D-PROLINES F. Hoffmann-La Roche AG (CH) 2004-09-22 EP disclosed
WO-2003051836-A1 PRODRUGS TO D-PROLINES F. HOFFMANN-LA ROCHE AG (CH) 2003-06-26 WO disclosed