SCHEMBL6883802

SCHEMBL6883802

CCCOC(=O)C1CCCN1C(=O)CCCCC(=O)N1CCC[C@@H]1C(=O)OCCC

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 10/20 0.47
SPHK1 Q9NYA1 1/20 0.45

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
SCHEMBL5492839 1.00 FKBP1A (0.47) FKBP1ASPHK1
SCHEMBL5497946 1.00 FKBP1A (0.47) FKBP1ASPHK1
SCHEMBL7048968 0.95 ACE (0.50) FKBP1A
SCHEMBL6883743 0.93 FKBP1A (0.49) FKBP1ASPHK1
SCHEMBL5497995 0.93 FKBP1A (0.49) FKBP1ASPHK1
SCHEMBL5497998 0.93 FKBP1A (0.49) FKBP1ASPHK1
SCHEMBL16116984 0.90 SPHK1 (0.48) FKBP1ASPHK1
SCHEMBL16116973 0.90 SPHK1 (0.48) FKBP1ASPHK1
SCHEMBL4186745 0.88 FKBP1A (0.46) FKBP1A
SCHEMBL5496862 0.88 FKBP1A (0.53) 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 2 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 disclosed
WO-2003051836-A1 PRODRUGS TO D-PROLINES F. HOFFMANN-LA ROCHE AG (CH) 2003-06-26 WO disclosed