SCHEMBL3856942

SCHEMBL3856942

COC(=O)Cc1ccc(OC)c(OCc2ccccc2)c1OC

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
BCHE P06276 4/20 0.49
KDM4E B2RXH2 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMPD1 P17405 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 1/20 0.46
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL29183057 0.85 SMPD1 (0.48) L3MBTL1NPC1RAB9ASMPD1HDAC1
SCHEMBL28542752 0.84 ALDH1A1 (0.56) MEN1KMT2ABCHEKDM4EL3MBTL1
SCHEMBL7123571 0.83 KDM4E (0.52) MEN1KMT2AKDM4EL3MBTL1POLB
SCHEMBL8043023 0.82 KDM4E (0.52) PDE4DMEN1KMT2ABCHEKDM4E
SCHEMBL3456646 0.80 HPGD (0.52) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL8032637 0.79 POLB (0.51) PDE4DBCHEKDM4EL3MBTL1POLB
SCHEMBL3848203 0.78 BCHE (0.51) BCHEKDM4EL3MBTL1POLBSMN1; SMN2
SCHEMBL2988197 0.77 L3MBTL1 (0.56) MEN1KMT2AKDM4EL3MBTL1LMNA
SCHEMBL31757763 0.77 L3MBTL1 (0.56) MEN1KMT2AKDM4EL3MBTL1LMNA
SCHEMBL25291928 0.77 SMN1; SMN2 (0.51) BCHENPC1RAB9ASMPD1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1740225-A4 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING BRISTOL MYERS SQUIBB CO (US) 2009-08-19 EP disclosed
EP-1740225-A2 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING Bristol-Myers Squibb Company (US) 2007-01-10 EP disclosed
WO-2005105159-A2 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-10 WO disclosed