SCHEMBL5285385

SCHEMBL5285385

Cc1ccc(OCCOc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.67
HSD17B10 Q99714 1/20 0.67
ALDH1A1 P00352 2/20 0.63
LMNA P02545 2/20 0.63
MAPT P10636 5/20 0.60
GAA P10253 2/20 0.56
KMT2A Q03164 2/20 0.56
KCNH2 Q12809 5/20 0.55
CRHBP P24387 1/20 0.55
CRHR2 Q13324 1/20 0.55
PTGS2 P35354 1/20 0.54
DRD2 P14416 1/20 0.54
DRD4 P21917 1/20 0.54
DRD3 P35462 1/20 0.54
MEN1 O00255 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL6228523 0.90 MAPT (0.65) ALDH1A1LMNAMAPTGAAKMT2A
SCHEMBL11133663 0.89 KCNH2 (0.63) ACHEHSD17B10ALDH1A1LMNAMAPT
SCHEMBL6034041 0.87 KMT2A (0.55) ACHEHSD17B10ALDH1A1LMNAMAPT
SCHEMBL116052 0.85 MAPT (0.60) HSD17B10ALDH1A1LMNAMAPTGAA
SCHEMBL8456712 0.85 ALDH1A1 (0.62) ALDH1A1LMNAMAPTGAAKMT2A
SCHEMBL30719663 0.85 MAPT (0.59) ALDH1A1LMNAMAPTGAAKMT2A
SCHEMBL13264901 0.85 ALDH1A1 (0.62) ALDH1A1LMNAMAPTGAAKMT2A
SCHEMBL5597361 0.84 MAOB (0.68) ACHEHSD17B10ALDH1A1LMNAMAPT
SCHEMBL29151254 0.84 MAOB (0.68) ACHEHSD17B10ALDH1A1LMNAMAPT
SCHEMBL9570575 0.84 DRD2 (0.65) ALDH1A1LMNAMAPTKMT2AKCNH2

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
WO-2006138653-A9 THERMAL RECORDING MATERIALS AND METHODS OF MAKING AND USING THE SAME NASHUA CORP (US) 2007-03-01 WO disclosed
US-20060293181-A1 Thermal recording materials and methods of making and using the same NASHUA CORPORATION 2006-12-28 US disclosed
WO-2006138653-A1 THERMAL RECORDING MATERIALS AND METHODS OF MAKING AND USING THE SAME NASHUA CORPORATION (US) 2006-12-28 WO disclosed
US-RE36321-E INCLUDING DIARYL DIETHER COMPOUND KANSAKI PAPER MANUFACTURING CO., LTD. (JP) 1999-09-28 US disclosed
EP-0141170-B1 HEAT-SENSITIVE RECORDING MATERIAL KANZAKI PAPER MANUFACTURING COMPANY LIMITED (JP) 1987-05-13 EP disclosed
US-4531140-A Heat-sensitive recording material Kansaki Paper Manufacturing Co. Ltd. (JP) 1985-07-23 US disclosed
EP-0141170-A2 Heat-sensitive recording material KANZAKI PAPER MANUFACTURING COMPANY LIMITED (JP) 1985-05-15 EP disclosed