SCHEMBL4269741

SCHEMBL4269741

Cc1cc(C(C)(C)c2ccc(N=C=O)c(C)c2)ccc1N=C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.47
TRPA1 O75762 1/20 0.47
ESR1 P03372 3/20 0.44
HPGD P15428 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ESR2 Q92731 2/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
KLF10 Q13118 1/20 0.32
AR P10275 1/20 0.31
TSHR P16473 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
HTR6 P50406 1/20 0.31
ESRRG P62508 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALOX15 P16050 1/20 0.30
ALOX12 P18054 1/20 0.30

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
SCHEMBL6220134 0.83 CYP3A4 (0.46) CYP3A4TRPA1HPGDALDH1A1TDP1
SCHEMBL3960923 0.81 TDP1 (0.39) CYP3A4TRPA1ESR1HPGDALDH1A1
SCHEMBL6222140 0.80 CYP3A4 (0.44) CYP3A4TRPA1HPGDALDH1A1TDP1
SCHEMBL141345 0.80 CYP3A4 (0.40) CYP3A4TRPA1HPGDALDH1A1TDP1
SCHEMBL10589697 0.79 CYP3A4 (0.65) CYP3A4TRPA1ESR1HPGDALDH1A1
SCHEMBL31115173 0.78 CYP3A4 (0.52) CYP3A4TRPA1HPGDALDH1A1TDP1
SCHEMBL29351907 0.78 CYP3A4 (0.58) CYP3A4TRPA1HPGDALDH1A1TDP1
SCHEMBL48414 0.78 CYP3A4 (0.58) CYP3A4TRPA1HPGDALDH1A1TDP1
SCHEMBL29500358 0.78 CYP3A4 (0.58) CYP3A4TRPA1HPGDALDH1A1TDP1
SCHEMBL31115174 0.78 CYP3A4 (0.52) CYP3A4TRPA1HPGDALDH1A1TDP1

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
US-8198381-B2 Phenol aralkyl epoxy resin with secondary hydroxyl groups NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2012-06-12 US disclosed
US-20090117388-A1 Epoxy Resin, Curable Resin Composition and Cured Product Thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-05-07 US disclosed
US-20080200636-A1 Epoxy Resin, Hardenable Resin Composition Containing the Same and Use Thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2008-08-21 US disclosed
EP-1852451-A1 EPOXY RESIN, HARDENABLE RESIN COMPOSITION CONTAINING THE SAME AND USE THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2007-11-07 EP disclosed