SCHEMBL28047262

SCHEMBL28047262

C=CC(=O)OCCOc1ccc(-c2nc(-c3cc(C)cc(C)c3)nc(-c3cc(C)cc(C)c3)n2)c(O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.45
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 1/20 0.34
KMT2A Q03164 3/20 0.34
ATM Q13315 1/20 0.34
MAPT P10636 4/20 0.33
TSHR P16473 4/20 0.33
HPGD P15428 3/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
P2RY12 Q9H244 1/20 0.33
ALDH1A1 P00352 4/20 0.33
TP53 P04637 4/20 0.33
POLB P06746 3/20 0.33
HTT P42858 2/20 0.33
MEN1 O00255 2/20 0.33
USP2 O75604 2/20 0.33

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
SCHEMBL29664981 0.91 THRB (0.45) THRBTDP1L3MBTL1NPC1KMT2A
SCHEMBL225454 0.91 THRB (0.45) THRBTDP1L3MBTL1NPC1KMT2A
SCHEMBL819249 0.87 THRB (0.45) THRBTDP1L3MBTL1NPC1KMT2A
SCHEMBL29666025 0.87 THRB (0.45) THRBTDP1L3MBTL1NPC1KMT2A
SCHEMBL29512550 0.87 THRB (0.56) THRBCNR1CNR2TDP1KMT2A
SCHEMBL2240459 0.87 THRB (0.56) THRBCNR1CNR2TDP1KMT2A
SCHEMBL14017595 0.86 THRB (0.51) THRBL3MBTL1NPC1KMT2AMAPT
SCHEMBL28047260 0.86 THRB (0.47) THRBCNR1CNR2L3MBTL1NPC1
SCHEMBL2237938 0.85 THRB (0.51) THRBTDP1L3MBTL1NPC1KMT2A
SCHEMBL13897527 0.85 THRB (0.54) THRBCNR1CNR2TDP1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105340084-A Backsheet for photovoltaic modules AGFA GEVAERT NV 2016-02-17 CN disclosed