SCHEMBL17397335

SCHEMBL17397335

COc1ccc(OC(=O)C2CCCCC2)cc1OC1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
PDE4D Q08499 11/20 0.54
PDE4B Q07343 10/20 0.54
PDE4A P27815 9/20 0.54
PDE4C Q08493 9/20 0.54
HIF1A Q16665 1/20 0.51
KMT2A Q03164 2/20 0.50
MAPK14 Q16539 1/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ATM Q13315 1/20 0.49

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
SCHEMBL3786540 0.83 KMT2A (0.53) POLBPDE4BKMT2AMEN1MAPT
SCHEMBL28479695 0.83 HIF1A (0.52) POLBPDE4DPDE4BPDE4APDE4C
SCHEMBL10803200 0.82 POLB (0.61) POLBKMT2AMEN1MAPTHTT
SCHEMBL10796854 0.82 POLB (0.61) POLBKMT2AMEN1MAPTHTT
SCHEMBL28870890 0.82 PDE4B (0.53) POLBPDE4DPDE4BPDE4APDE4C
SCHEMBL10802749 0.81 ATM (0.60) POLBKMT2AMEN1MAPTHTT
SCHEMBL27521810 0.80 PDE4A (0.60) POLBPDE4DPDE4BPDE4APDE4C
SCHEMBL6864582 0.79 PDE4D (0.58) POLBPDE4DPDE4BPDE4APDE4C
SCHEMBL17933774 0.79 KMT2A (0.53) KMT2AHTTSMN1; SMN2TDP1NPC1
SCHEMBL7417740 0.79 PDE4B (0.50) POLBPDE4DPDE4BPDE4APDE4C

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-2016134668-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-09-01 WO disclosed
WO-2016000615-A1 HETEROARYL COMPOUNDS AND PHARMACEUTICAL APPLICATIONS THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-01-07 WO disclosed