SCHEMBL5287594

SCHEMBL5287594

Cc1ccc(OCCOc2ccc(C#N)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.67
CYP2A6 P11509 1/20 0.67
MAPT P10636 2/20 0.61
MMP2 P08253 2/20 0.50
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50
KCNA5 P22460 1/20 0.50
HRH3 Q9Y5N1 3/20 0.49
AR P10275 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
MAOB P27338 1/20 0.48
CYP19A1 P11511 2/20 0.48
MMP3 P08254 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
HRH2 P25021 1/20 0.46
HRH1 P35367 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
SCHEMBL7986752 0.89 ALDH1A1 (0.66) ALDH1A1MAPTMMP2HRH3MAOB
SCHEMBL12426925 0.87 HDAC1 (0.58) ALDH1A1CYP2A6MAPTMMP2HRH3
SCHEMBL313373 0.84 DRD2 (0.64) DRD2DRD4DRD3L3MBTL1
SCHEMBL4867346 0.83 MAPT (0.61) ALDH1A1MAPTMMP2HRH3MAOB
SCHEMBL9663522 0.83 ALDH1A1 (0.54) ALDH1A1CYP2A6MAPTMMP2KCNA5
SCHEMBL459019 0.83 ALDH1A1 (0.73) ALDH1A1CYP2A6MAPTARMAOB
SCHEMBL8673505 0.83 SMN1; SMN2 (0.61) ALDH1A1MAPTMMP2HRH3MAOB
SCHEMBL18937750 0.82 ALDH1A1 (0.59) ALDH1A1CYP2A6MMP2HRH3AR
SCHEMBL16604318 0.82 MAOB (0.68) ALDH1A1CYP2A6MAPTHRH3MAOB
SCHEMBL13232462 0.82 MAOB (0.68) ALDH1A1CYP2A6MAPTHRH3MAOB

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