SCHEMBL2935832

SCHEMBL2935832

CC(C)(C)c1cccc2c1C(c1ccc(O)cc1)C(=O)O2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
KDM4E B2RXH2 1/20 0.37
CA2 P00918 1/20 0.36
ESR1 P03372 5/20 0.34
ESR2 Q92731 4/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 2/20 0.33
GRM2 Q14416 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 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
SCHEMBL4802675 0.87 GAA (0.46) MEN1KMT2ACA2GAAMAPT
SCHEMBL1233033 0.86 IDO1 (0.34) MEN1KMT2AKDM4EGAAMAPT
SCHEMBL1144737 0.84 MAPT (0.42) KMT2AMAPTSMN1; SMN2NPC1MAPK1
SCHEMBL8431458 0.81 GAA (0.35) GAAGABRA1GABRB2
SCHEMBL1274016 0.81 KDM4E (0.41) MEN1KMT2AKDM4EESR1GAA
SCHEMBL7759240 0.80 CYP3A4 (0.36) KDM4EESR1ESR2GAASMN1; SMN2
SCHEMBL6402971 0.76 CA2 (0.38) CA2ALDH1A1GRM2GABRA1GABRB2
SCHEMBL5603503 0.73 CA2 (0.34) CA2GABRA1GABRB2
SCHEMBL7576873 0.72 DGKA (0.38) ESR1ESR2MAPTSMN1; SMN2NPC1
SCHEMBL29880960 0.71 GAA (0.50) MEN1KMT2AKDM4EESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2229370-A1 CRYSTALLINE FORM OF 2-(4,6-BIS-BIPHENYL-4-YL-1,3,5-TRIAZIN-2-YL)-5-(2-ETHYL-(N)-HEXYLOXY)PHENOL BASF SE (DE) 2010-09-22 EP disclosed
WO-2009071475-A1 CRYSTALLINE FORM OF 2-(4,6-BIS-BIPHENYL-4-YL-1,3,5-TRIAZIN-2-YL)-5-(2-ETHYL-(N)-HEXYLOXY)PHENOL BASF SE (CH) 2009-06-11 WO disclosed
EP-1824921-A1 LACTONE STABILIZING COMPOSITIONS Milliken&Company (US) 2007-08-29 EP disclosed
WO-2006065829-A1 LACTONE STABILIZING COMPOSITIONS MILLIKEN & COMPANY (US) 2006-06-22 WO disclosed