SCHEMBL7140189

SCHEMBL7140189

COC=C(C(=O)O)c1ccccc1C=CC=Cc1ccc(F)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.43
AR P10275 1/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NFKB1 P19838 1/20 0.36
NFE2L2 Q16236 1/20 0.35
RELA Q04206 1/20 0.34
ITGAL P20701 1/20 0.33

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
SCHEMBL7140184 1.00 MAOB (0.43) MAOBARLMNAMAPTGAA
SCHEMBL7135427 0.91 MAOB (0.43) MAOBARLMNAMAPTGAA
SCHEMBL7133655 0.91 MAOB (0.43) MAOBARLMNAMAPTGAA
SCHEMBL7138593 0.89 MAOB (0.41) MAOBLMNAMAPTGAAATM
SCHEMBL7138590 0.89 MAOB (0.41) MAOBLMNAMAPTGAAATM
SCHEMBL7136717 0.89 MAOB (0.51) MAOBLMNAMAPTGAAATM
SCHEMBL7135431 0.86 NFE2L2 (0.44) MAOBARNFE2L2RELA
SCHEMBL7135430 0.86 NFE2L2 (0.44) MAOBARNFE2L2RELA
SCHEMBL7164686 0.84 AR (0.39) MAOBARMAPTRELA
SCHEMBL7164682 0.84 AR (0.39) MAOBARMAPTRELA

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
EP-0996439-B1 BETA-ALKOXYACRYLATES AGAINST MALARIA HOFFMANN LA ROCHE (CH) 2003-01-08 EP claimed