SCHEMBL5283068

SCHEMBL5283068

CC(Oc1ccccc1)Oc1ccc(C(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
RAB9A P51151 4/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NR1H4 Q96RI1 1/20 0.41
SLC6A9 P48067 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
POLB P06746 2/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40

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
SCHEMBL11580062 0.86 MAPT (0.49) MAPTTDP1L3MBTL1RAB9ANPSR1
SCHEMBL5285132 0.84 MAPT (0.51) MAPTTDP1L3MBTL1RAB9AMEN1
SCHEMBL14227022 0.83 MAPT (0.45) MAPTTDP1L3MBTL1RAB9ANPSR1
SCHEMBL5294138 0.83 MAPT (0.39) MAPTTDP1L3MBTL1RAB9ANPSR1
SCHEMBL542873 0.82 KDM4E (0.50) MEN1KMT2AALDH1A1HPGDPOLB
SCHEMBL14088928 0.81 FFAR1 (0.50) MAPTTDP1L3MBTL1NR1H4SLC6A9
SCHEMBL17790003 0.80 NR1H4 (0.44) MAPTTDP1L3MBTL1RAB9ANPC1
SCHEMBL5299795 0.79 NR1H4 (0.41) MAPTTDP1L3MBTL1RAB9ANPSR1
SCHEMBL19392583 0.79 RAB9A (0.65) MAPTTDP1L3MBTL1RAB9ANPSR1
SCHEMBL12960634 0.79 KMT2A (0.52) RAB9AMEN1KMT2ANPC1ALDH1A1

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