SCHEMBL5289693

SCHEMBL5289693

CC(Oc1ccccc1)Oc1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.49
PPARA Q07869 11/20 0.49
SLC6A4 P31645 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
POLB P06746 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL6556332 0.91 L3MBTL1 (0.53) PPARGPPARASLC6A4L3MBTL1POLB
SCHEMBL542873 0.86 KDM4E (0.50) SLC6A4POLBCYP1A2CYP2C9CYP2C19
SCHEMBL5292439 0.83 NPC1 (0.42) SLC6A4SLC6A2SLC6A3POLBCYP1A2
SCHEMBL29163216 0.82 L3MBTL1 (0.50) PPARGPPARASLC6A4L3MBTL1POLB
SCHEMBL11577579 0.82 PPARG (0.51) PPARGPPARASLC6A4SLC6A2SLC6A3
SCHEMBL12960634 0.82 KMT2A (0.52) POLBCYP1A2CYP2C9CYP2C19
Methylamine SCHEMBL10763289 0.81 KDM4E (0.47) SLC6A4POLBCYP1A2CYP2C9CYP2C19
SCHEMBL5289804 0.81 PPARA (0.44) PPARGPPARASLC6A4L3MBTL1SLC6A2
SCHEMBL10749798 0.80 CA4 (0.64) PPARGPPARA
SCHEMBL3395724 0.80 MEN1 (0.46) PPARGPPARASLC6A4CYP1A2CYP2C9

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 3 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
WO-2006138653-A1 THERMAL RECORDING MATERIALS AND METHODS OF MAKING AND USING THE SAME NASHUA CORPORATION (US) 2006-12-28 WO disclosed
EP-0213454-A2 Heat sensitive recording sheets containing sulfone derivatives KANZAKI PAPER MANUFACTURING COMPANY LIMITED (JP) 1987-03-11 EP disclosed