SCHEMBL4566591

SCHEMBL4566591

CCCCCNc1ccc(Oc2ccc(NCCCCC)c(C(=O)OC)c2)cc1CC(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MGLL Q99685 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
GLA P06280 1/20 0.37
PLK1 P53350 1/20 0.36
PLK3 Q9H4B4 1/20 0.36
TLR7 Q9NYK1 6/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HCAR3 P49019 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 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
SCHEMBL1082554 0.78 KCNH3 (0.43) CNR2PLK1HPGD
SCHEMBL1467336 0.76 LMNA (0.44) ALDH1A1L3MBTL1
SCHEMBL9195780 0.76 PLK1 (0.52) CNR2KDM4EALDH1A1GAAMAPT
SCHEMBL1081781 0.75 CNR2 (0.39) CNR2KDM4EALDH1A1GAAMAPT
SCHEMBL1075649 0.75 AKR1C2 (0.48) KDM4EGAAMAPTMGLLPLK1
SCHEMBL2913206 0.74 HCAR3 (0.48) CNR2KDM4EALDH1A1GAAMAPT
SCHEMBL3396257 0.74 KDM4E (0.52) CNR2KDM4EALDH1A1GAAMAPT
SCHEMBL8715959 0.74 CNR2 (0.58) CNR2KDM4EALDH1A1GAAMAPT
SCHEMBL9194517 0.74 ABL1 (0.47) KDM4EGLA
SCHEMBL12255222 0.74 POLB (0.44) CNR2KDM4EALDH1A1GLATLR7

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
WO-2009127822-A2 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS BIOLIPOX AB (SE) 2009-10-22 WO disclosed