SCHEMBL6279564

SCHEMBL6279564

COC(=O)C(CCCc1ccccc1)C(O)C(=O)N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 2/20 0.47
MMP8 P22894 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
CTSS P25774 5/20 0.43
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42

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
SCHEMBL5420286 1.00 FKBP1A (0.48) FKBP1AMEN1KMT2APOLBMMP8
SCHEMBL5420291 1.00 FKBP1A (0.48) FKBP1AMEN1KMT2APOLBMMP8
SCHEMBL5955017 0.89 FKBP1A (0.46) FKBP1AMEN1KMT2APOLBMMP8
SCHEMBL5418488 0.89 FKBP1A (0.46) FKBP1AMEN1KMT2APOLBMMP8
SCHEMBL5954939 0.89 FKBP1A (0.46) FKBP1AMEN1KMT2APOLBMMP8
SCHEMBL5954946 0.89 FKBP1A (0.46) FKBP1AMEN1KMT2APOLBMMP8
SCHEMBL5954943 0.89 FKBP1A (0.46) FKBP1AMEN1KMT2APOLBMMP8
SCHEMBL5955015 0.89 FKBP1A (0.46) FKBP1AMEN1KMT2APOLBMMP8
SCHEMBL5418489 0.89 FKBP1A (0.46) FKBP1AMEN1KMT2APOLBMMP8
SCHEMBL5955020 0.89 FKBP1A (0.46) FKBP1AMEN1KMT2APOLBMMP8

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-1515726-A1 MORPHOLINE AND TETRAHYDROPYRAN DERIVATIVES AND THEIR USE AS CATHEPSIN INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2005-03-23 EP disclosed
WO-2004002491-A1 MORPHOLINE AND TETRAHYDROPYRAN DRIVATIVES AND THEIR USE AS CATHEPSIN INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2004-01-08 WO disclosed