SCHEMBL6876833

SCHEMBL6876833

C[C@@H]1C[C@H](N(C)C(=O)N2CCOCC2)C[C@H](O)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
POLB P06746 1/20 0.37
VNN1 O95497 1/20 0.35
MMP13 P45452 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
MAPK1 P28482 1/20 0.34
PKM P14618 1/20 0.33
MLYCD O95822 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
KMT2A Q03164 3/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
TSHR P16473 1/20 0.31
MEN1 O00255 2/20 0.31
TP53 P04637 2/20 0.31

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
SCHEMBL8004202 1.00 MAPT (0.43) MAPTPOLBVNN1MMP13SMN1; SMN2
SCHEMBL17690042 0.78 MAPT (0.41) MAPTPOLBVNN1SMN1; SMN2KDM4E
SCHEMBL6873524 0.77 MAPT (0.43) MAPTPOLBVNN1SMN1; SMN2KDM4E
SCHEMBL7995464 0.77 MAPT (0.43) MAPTPOLBVNN1SMN1; SMN2KDM4E
SCHEMBL8004313 0.75 TSHR (0.33) TSHR
SCHEMBL8004779 0.75 TSHR (0.30) TSHR
SCHEMBL7996032 0.75 TSHR (0.30) TSHR
SCHEMBL12349632 0.74 MAPT (0.49) MAPTPOLBVNN1MMP13SMN1; SMN2
SCHEMBL17690155 0.73 MAPT (0.39) MAPTPOLBMMP13SMN1; SMN2KDM4E
SCHEMBL4375383 0.72 MAPT (0.50) MAPTPOLBVNN1MMP13SMN1; SMN2

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-2011018510-A1 NEW MACROLIDES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2011-02-17 WO disclosed