SCHEMBL5325948

SCHEMBL5325948

Cc1cccc(OC(C)Oc2cccc(C)c2C)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
HTR1B P28222 1/20 0.44
KEAP1 Q14145 1/20 0.40
POLB P06746 1/20 0.40
TRPA1 O75762 1/20 0.39
ATM Q13315 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
DHFR P00374 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL28648313 0.88 MAPT (0.42) MAPTHTR1BKEAP1POLBTRPA1
SCHEMBL3720870 0.86 MAPT (0.47) MAPTHTR1BKEAP1POLBTRPA1
SCHEMBL14271680 0.83 MAPT (0.44) MAPTHTR1BKEAP1POLBTRPA1
SCHEMBL516150 0.83 MAPT (0.44) MAPTHTR1BKEAP1POLBTRPA1
SCHEMBL1592873 0.81 NISCH (0.47) SLC6A2SLC6A4SLC6A3KDM4EMEN1
Bromide SCHEMBL25206394 0.81 MAPT (0.43) MAPTHTR1BKEAP1POLBTRPA1
SCHEMBL28439986 0.80 GABRA1 (0.39) MAPTHTR1BSLC6A2SLC6A4SLC6A3
SCHEMBL16955002 0.80 MAPT (0.46) MAPTHTR1BKEAP1POLBTRPA1
SCHEMBL16234636 0.77 TSHR (0.46) MAPTPOLBKDM4EMEN1KMT2A
SCHEMBL4778014 0.77 MAPT (0.40) MAPTHTR1BKEAP1POLBTRPA1

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 2 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