SCHEMBL6501545

SCHEMBL6501545

CCOC(=O)C1CCN(c2cc(F)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 2/20 0.52
FFAR4 Q5NUL3 1/20 0.51
PDK2 Q15119 1/20 0.51
MAPT P10636 4/20 0.50
ALDH1A1 P00352 8/20 0.48
TDP1 Q9NUW8 2/20 0.48
KDM4E B2RXH2 3/20 0.47
RECQL P46063 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.43
HSP90AA1 P07900 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL6528497 0.93 LGMN (0.56) LGMNFFAR4PDK2MAPTALDH1A1
SCHEMBL6506137 0.83 NOTUM (0.61) LGMNPDK2MAPTALDH1A1KDM4E
SCHEMBL2167020 0.83 MAPT (0.64) LGMNPDK2MAPTALDH1A1KDM4E
SCHEMBL16648623 0.82 LGMN (0.51) LGMNPDK2MAPTALDH1A1KDM4E
SCHEMBL6499990 0.81 FFAR4 (0.58) FFAR4PDK2POLB
SCHEMBL29838655 0.79 LGMN (0.61) LGMNPDK2MAPTALDH1A1TDP1
SCHEMBL1749330 0.78 MAPT (0.68) LGMNPDK2MAPTALDH1A1TDP1
SCHEMBL38658169 0.78 LGMN (0.62) LGMNPDK2MAPTALDH1A1TDP1
SCHEMBL4134420 0.77 MAPT (0.57) LGMNPDK2MAPTALDH1A1KDM4E
SCHEMBL6501131 0.77 LGMN (0.61) LGMNMAPTALDH1A1KDM4EMEN1

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-2005019200-A2 ARYL PIPERIDINE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-03-03 WO disclosed