SCHEMBL862811

SCHEMBL862811

CN(Cc1ccccc1O)Cc1ccccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.54
CYP2D6 P10635 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
TSHR P16473 1/20 0.48
HIF1A Q16665 1/20 0.48
HTR1A P08908 1/20 0.47
TAAR1 Q96RJ0 1/20 0.46
AKR1B1 P15121 1/20 0.46
IDO1 P14902 2/20 0.45
CA12 O43570 2/20 0.45
CA2 P00918 2/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
BCHE P06276 1/20 0.44
CA9 Q16790 1/20 0.43
MPO P05164 1/20 0.43
KEAP1 Q14145 1/20 0.43
MEN1 O00255 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL31404242 1.00 HSPA5 (0.54) HSPA5CYP2D6CYP1A2CYP2C19TSHR
SCHEMBL14424853 0.92 CYP2D6 (0.50) HSPA5CYP2D6CYP1A2CYP2C19TSHR
SCHEMBL95295 0.91 HSPA5 (0.50) HSPA5CYP2D6CYP1A2CYP2C19TSHR
SCHEMBL15483812 0.91 HSPA5 (0.50) HSPA5CYP2D6CYP1A2CYP2C19TSHR
SCHEMBL24011665 0.89 HTR2A (0.49) HSPA5CYP2D6CYP1A2CYP2C19TSHR
SCHEMBL862808 0.89 HSPA5 (0.48) HSPA5CYP2D6CYP1A2CYP2C19TSHR
SCHEMBL116610 0.86 ALDH1A1 (0.56) HSPA5CYP2D6CYP2C19TSHRHIF1A
SCHEMBL29354255 0.86 ALDH1A1 (0.56) HSPA5CYP2D6CYP2C19TSHRHIF1A
SCHEMBL31404238 0.86 HSD17B10 (0.56) HSPA5CYP2D6CYP1A2CYP2C19TSHR
SCHEMBL8815147 0.86 HSD17B10 (0.56) HSPA5CYP2D6CYP1A2CYP2C19TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759443-B2 Curable benzoxazine-based compositions, their preparation and cured products thereof HENKEL AG & CO. KGAA (DE) 2014-06-24 US disclosed
US-8168743-B2 Curable benzoxazine macromonomers, their preparation and cured products HENKEL AG & CO. KGAA (DE) 2012-05-01 US disclosed
US-8143363-B2 Polymerizable composition HENKEL AG & CO. KGAA (DE) 2012-03-27 US disclosed
US-20110105680-A1 Polymerizable Composition HENKEL AG & CO. KGAA (DE) 2011-05-05 US disclosed
US-20100210787-A1 CURABLE BENZOXAZINE MACROMONOMERS, THEIR PREPARATION AND CURED PRODUCTS HENKEL AG & CO. KGAA (DE) 2010-08-19 US disclosed
US-20100204385-A1 CURABLE BENZOXAZINE-BASED COMPOSITIONS, THEIR PREPARATION AND CURED PRODUCTS THEREOF HENKEL AG & CO. KGAA (DE) 2010-08-12 US disclosed
US-20100204385-A1 CURABLE BENZOXAZINE-BASED COMPOSITIONS, THEIR PREPARATION AND CURED PRODUCTS THEREOF HENKEL AG & CO. KGAA (DE) 2010-08-12 US disclosed