SCHEMBL5292005

SCHEMBL5292005

Cc1cc(C)cc(OCCOc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.56
DRD2 P14416 3/20 0.54
DRD4 P21917 3/20 0.54
DRD3 P35462 2/20 0.50
HTR1B P28222 2/20 0.50
PKM P14618 2/20 0.50
TAAR1 Q96RJ0 1/20 0.50
ALDH1A1 P00352 1/20 0.50
RECQL P46063 1/20 0.50
HTR1D P28221 1/20 0.50
LTA4H P09960 1/20 0.48
MEN1 O00255 2/20 0.47
RAB9A P51151 2/20 0.47
KMT2A Q03164 2/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA7 P36544 1/20 0.47
CHRNA4 P43681 1/20 0.47
NPC1 O15118 1/20 0.47

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
SCHEMBL5929477 0.86 TP53 (0.52) ALDH1A1MEN1RAB9AKMT2ANPC1
SCHEMBL5686017 0.85 DRD2 (0.72) KCNA3DRD2DRD4DRD3ALDH1A1
SCHEMBL2063136 0.85 DRD2 (0.72) KCNA3DRD2DRD4DRD3ALDH1A1
SCHEMBL9770391 0.84 KCNA3 (0.70) KCNA3DRD2DRD4DRD3HTR1B
SCHEMBL1374376 0.82 DRD2 (0.69) KCNA3DRD2DRD4DRD3HTR1B
SCHEMBL27962 0.81 KCNA3 (0.82) KCNA3DRD2DRD4DRD3HTR1B
SCHEMBL8672402 0.79 TP53 (0.47) ALDH1A1MEN1RAB9AKMT2ANPC1
SCHEMBL8673129 0.79 TP53 (0.47) ALDH1A1MEN1RAB9AKMT2ANPC1
SCHEMBL20005689 0.79 DRD2 (0.60) DRD2DRD4DRD3RAB9AKMT2A
SCHEMBL5795265 0.79 MAPT (0.58) KCNA3DRD2DRD4DRD3HTR1B

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 8 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
US-4985393-A Bis/hydroxyphenylthio/ Compounds KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1991-01-15 US disclosed
EP-0373561-A2 Heat sensitive recording material KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1990-06-20 EP 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