SCHEMBL3618006

SCHEMBL3618006

C=Cc1ccc2cc3cc(OC)ccc3cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.50
CYP2A6 P11509 1/20 0.50
NQO2 P16083 3/20 0.47
TRPA1 O75762 2/20 0.46
RELA Q04206 2/20 0.46
CYP1A1 P04798 3/20 0.46
CYP1B1 Q16678 3/20 0.46
ESR1 P03372 2/20 0.46
PTGS2 P35354 2/20 0.46
ABL1 P00519 1/20 0.46
TTR P02766 1/20 0.46
ABCB1 P08183 1/20 0.46
ALOX5 P09917 1/20 0.46
BCR P11274 1/20 0.46
CYP19A1 P11511 1/20 0.46
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
AHR P35869 1/20 0.46
TUBA1B P68363 1/20 0.46

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
SCHEMBL3627666 1.00 CYP1A2 (0.50) CYP1A2CYP2A6NQO2TRPA1RELA
SCHEMBL5673218 0.96 CYP1A2 (0.55) CYP1A2CYP2A6NQO2TRPA1RELA
SCHEMBL190030 0.96 CYP1A2 (0.54) CYP1A2CYP2A6NQO2TRPA1RELA
SCHEMBL29566387 0.96 CYP1A2 (0.54) CYP1A2CYP2A6NQO2TRPA1RELA
SCHEMBL29566047 0.96 CYP1A2 (0.54) CYP1A2CYP2A6NQO2TRPA1RELA
SCHEMBL7076185 0.84 MAOB (0.44) CYP1A2CYP2A6NQO2TRPA1RELA
SCHEMBL28366291 0.83 ALDH1A1 (0.53) NQO2TRPA1RELAKDM4ETP53
SCHEMBL6891918 0.81 CYP1A2 (0.71) CYP1A2CYP2A6CYP1A1CYP1B1HSD17B1
SCHEMBL2249185 0.81 CYP1A2 (0.71) CYP1A2CYP2A6CYP1A1CYP1B1HSD17B1
SCHEMBL7456084 0.81 CYP1A2 (0.71) CYP1A2CYP2A6CYP1A1CYP1B1HSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2506357-B1 Separation membrane for direct liquid fuel cell and method for producing same TOKUYAMA CORP (JP) 2015-06-17 EP disclosed
EP-2506357-A1 Separation membrane for direct liquid fuel cell and method for producing same Tokuyama Corporation (JP) 2012-10-03 EP disclosed
US-8232325-B2 Separation membrane for direct liquid fuel cell and method for producing same TOKUYAMA CORPORATION (JP) 2012-07-31 US disclosed
US-20100003574-A1 Separation Membrane for Direct Liquid Fuel Cell and Method for Producing Same TOKUYAMA CORPORATION (JP) 2010-01-07 US disclosed
EP-1990854-A1 SEPARATION MEMBRANE FOR DIRECT LIQUID FUEL CELL AND METHOD FOR PRODUCING SAME Tokuyama Corporation (JP) 2008-11-12 EP disclosed