SCHEMBL15434152

SCHEMBL15434152

C[C@H]1CC[C@H](Nc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.50
KIF11 P52732 1/20 0.49
GABBR2 O75899 1/20 0.45
GABBR1 Q9UBS5 1/20 0.45
MMP12 P39900 1/20 0.45
CHEK1 O14757 1/20 0.44
GALR2 O43603 1/20 0.44
GALR1 P47211 1/20 0.44
EPHX1 P07099 3/20 0.43
SYK P43405 1/20 0.41
MAPT P10636 1/20 0.41
FAAH O00519 2/20 0.40
PIM1 P11309 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL12953406 1.00 EPHX2 (0.50) EPHX2KIF11GABBR2GABBR1MMP12
SCHEMBL15434091 1.00 EPHX2 (0.50) EPHX2KIF11GABBR2GABBR1MMP12
SCHEMBL2172826 0.87 EPHX2 (0.51) EPHX2GALR2GALR1EPHX1SYK
SCHEMBL12953404 0.86 EPHX2 (0.56) EPHX2KIF11GABBR2GABBR1GALR2
SCHEMBL15434097 0.86 PIM1 (0.53) EPHX2KIF11GABBR2GABBR1GALR2
SCHEMBL12953553 0.86 PIM1 (0.53) EPHX2KIF11GABBR2GABBR1GALR2
SCHEMBL15434096 0.86 PIM1 (0.53) EPHX2KIF11GABBR2GABBR1GALR2
SCHEMBL12953129 0.85 EPHX2 (0.58) EPHX2KIF11GABBR2GABBR1GALR2
SCHEMBL1333239 0.82 GABBR2 (0.49) EPHX2KIF11GABBR2GABBR1MMP12
SCHEMBL12127078 0.82 GABBR2 (0.49) EPHX2KIF11GABBR2GABBR1MMP12

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
US-8633245-B2 PAI-1 inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2014-01-21 US disclosed