SCHEMBL14880245

SCHEMBL14880245

COc1ccc([CH]c2ccc(F)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 6/20 0.76
NQO2 P16083 1/20 0.57
ALDH1A1 P00352 2/20 0.52
CYP2A6 P11509 1/20 0.52
RELA Q04206 3/20 0.52
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
KDM4E B2RXH2 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48

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
SCHEMBL27883 0.88 CA12 (0.65) NFE2L2NQO2ALDH1A1CYP2A6RELA
SCHEMBL5495422 0.86 NFE2L2 (1.00) NFE2L2NQO2ALDH1A1RELALMNA
SCHEMBL5495425 0.86 NFE2L2 (1.00) NFE2L2NQO2ALDH1A1RELALMNA
SCHEMBL7024215 0.85
SCHEMBL8298 0.85
Water SCHEMBL28134264 0.83 NFE2L2 (0.70) NFE2L2NQO2ALDH1A1CYP3A4KDM4E
SCHEMBL7792584 0.81 NFE2L2 (0.68) NFE2L2NQO2RELA
SCHEMBL7792580 0.81 NFE2L2 (0.68) NFE2L2NQO2RELA
SCHEMBL18240773 0.81 NFE2L2 (0.75) NFE2L2NQO2RELAKDM4EMAOB
SCHEMBL18240792 0.81 NFE2L2 (0.75) NFE2L2ALDH1A1RELATP53KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2906970-B1 HIGH REFRACTIVE INDEX OPHTHALMIC DEVICE MATERIALS WITH REDUCED TACK NOVARTIS AG (CH) 2016-11-23 EP claimed
EP-2780326-A1 METHOD FOR INHIBITION OF DEUBIQUITINATING ACTIVITY Vivolux Ab (SE) 2014-09-24 EP disclosed
WO-2013058691-A1 METHOD FOR INHIBITION OF DEUBIQUITINATING ACTIVITY VIVOLUX AB (SE) 2013-04-25 WO disclosed