SCHEMBL8360737

SCHEMBL8360737

CCOC(=O)C(CC(=O)N1CCOCC1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
POLB P06746 3/20 0.56
TSHR P16473 2/20 0.56
ALDH1A1 P00352 5/20 0.55
RAB9A P51151 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
RECQL P46063 1/20 0.51
GAA P10253 1/20 0.51
KMT2A Q03164 3/20 0.49
HPGD P15428 2/20 0.49
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
FKBP1A P62942 1/20 0.44
MEN1 O00255 2/20 0.43
PKM P14618 1/20 0.43
GLA P06280 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL5423271 0.94 LMNA (0.59) LMNAPOLBTSHRALDH1A1RAB9A
SCHEMBL23620677 0.89 LMNA (0.55) LMNAPOLBTSHRALDH1A1RAB9A
SCHEMBL5423280 0.82 POLB (0.44) LMNAPOLBTSHRALDH1A1RAB9A
SCHEMBL1246220 0.74 TSHR (0.96) LMNAPOLBTSHRALDH1A1RAB9A
SCHEMBL11694406 0.74 RAB9A (0.58) LMNAPOLBTSHRALDH1A1RAB9A
SCHEMBL3707572 0.73 LMNA (0.73) LMNAPOLBTSHRALDH1A1RAB9A
SCHEMBL15944487 0.72 CYP3A4 (0.69) LMNAPOLBTSHRALDH1A1RAB9A
Acetone SCHEMBL9417288 0.72 MEN1 (0.47) LMNAPOLBTSHRALDH1A1RAB9A
SCHEMBL10505583 0.72 ALDH1A1 (0.61) LMNAPOLBTSHRALDH1A1RAB9A
SCHEMBL294992 0.72 POLB (0.55) LMNAPOLBTSHRALDH1A1L3MBTL1

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-2004002491-A1 MORPHOLINE AND TETRAHYDROPYRAN DRIVATIVES AND THEIR USE AS CATHEPSIN INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2004-01-08 WO disclosed