SCHEMBL5280272

SCHEMBL5280272

C1=CCC(c2ccccc2OCCOc2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.44
MAOA P21397 1/20 0.44
ALDH1A1 P00352 1/20 0.41
SLC6A4 P31645 4/20 0.40
SLC6A2 P23975 3/20 0.40
SLC6A3 Q01959 3/20 0.40
HTR1A P08908 3/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
HTR1D P28221 2/20 0.39
HTR1B P28222 2/20 0.39
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
KCNA3 P22001 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.37
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
CTSK P43235 1/20 0.35

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
SCHEMBL27939361 0.75 HTR2C (0.56) MEN1KMT2AADRA1DADRA1A
SCHEMBL24415464 0.73 KCNA3 (0.42) MAOBMAOAALDH1A1HTR1DHTR1B
SCHEMBL9778820 0.70 ALDH1A1 (0.45) MAOBMAOAALDH1A1SLC6A4HTR1A
SCHEMBL9617077 0.70 KCNA3 (0.67) ALDH1A1HTR1AHTR1DHTR1BMAPT
SCHEMBL9778949 0.68 MAOB (0.43) MAOBMAOAALDH1A1HTR1AMAPT
SCHEMBL28044929 0.68 DPP4 (0.31)
SCHEMBL13810637 0.67 TDP1 (0.46) ALDH1A1SLC6A4SLC6A2
SCHEMBL27552179 0.67 MAOB (0.50) MAOBMAOASLC6A2SLC6A3MAPT
SCHEMBL971145 0.66 KDM1A (0.40) ALDH1A1SLC6A4SLC6A2SLC6A3RAB9A
SCHEMBL5406701 0.66 DPP4 (0.49) ADRA1DADRA1AADRA1B

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