SCHEMBL1014656

SCHEMBL1014656

CC(C)COC(=O)CCc1nccc2c(C(=N)NO)cccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.35
ADRB2 P07550 2/20 0.34
ADRB1 P08588 2/20 0.34
ADRB3 P13945 2/20 0.34
KDM4E B2RXH2 5/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 2/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL1014714 0.83 LMNA (0.38) ALDH1A1TSHRLMNAKDM4EKMT2A
SCHEMBL1014655 0.83 SSTR4 (0.33) LMNAADRB2ADRB1ADRB3KDM4E
SCHEMBL1014258 0.82 CYP1A2 (0.41) LMNAHSD17B10CNR1
SCHEMBL1013044 0.78 LMNA (0.36) ALDH1A1TSHRLMNAKDM4EKMT2A
SCHEMBL2716315 0.71 CYP4F2 (0.40) ALDH1A1KMT2AMEN1TDP1L3MBTL1
SCHEMBL1015274 0.69 DUT (0.30)
SCHEMBL10729119 0.66 LMNA (0.54) ALDH1A1LMNAKDM4EKMT2AMEN1
SCHEMBL10637123 0.65 KDM4E (0.52) ALDH1A1KDM4EHPGDHSD17B10CNR1
SCHEMBL11983613 0.64 CYP1A2 (0.40) LMNAKMT2ATDP1L3MBTL1CNR1
SCHEMBL145642 0.64 ALDH1A1 (0.63) ALDH1A1TSHRADRB2ADRB1ADRB3

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
EP-2271643-A1 COMPOUNDS Glaxo Group Limited (GB) 2011-01-12 EP disclosed
WO-2009133136-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-11-05 WO disclosed