SCHEMBL5608557

SCHEMBL5608557

COC(=O)[C@H](Cc1ccccc1)Nc1cc(OC)cc(OC)c1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
MAPT P10636 2/20 0.54
ATM Q13315 1/20 0.52
POLB P06746 2/20 0.52
THRB P10828 2/20 0.51
ALDH1A1 P00352 2/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HSD17B10 Q99714 1/20 0.51
FPR2 P25090 1/20 0.51
TP53 P04637 1/20 0.51
STAT3 P40763 1/20 0.51
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 1/20 0.49
GAA P10253 1/20 0.49
RAB9A P51151 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
SCHEMBL5608554 1.00 IDO1 (0.56) IDO1L3MBTL1MAPTATMPOLB
SCHEMBL5608495 0.87 FPR2 (0.62) L3MBTL1MAPTATMPOLBTHRB
SCHEMBL5608490 0.87 FPR2 (0.62) L3MBTL1MAPTATMPOLBTHRB
SCHEMBL27880853 0.85 ATM (0.60) L3MBTL1ATMPOLBTHRBALDH1A1
SCHEMBL30436738 0.82 ATM (0.51) ATMPOLBTHRBALDH1A1CYP2C9
SCHEMBL5608758 0.80 ATM (0.62) L3MBTL1ATMPOLBTHRBALDH1A1
SCHEMBL5608756 0.80 ATM (0.62) L3MBTL1ATMPOLBTHRBALDH1A1
SCHEMBL2830729 0.79 ATM (0.53) ATMPOLBTHRBALDH1A1CYP2C9
SCHEMBL2830730 0.79 ATM (0.53) ATMPOLBTHRBALDH1A1CYP2C9
SCHEMBL16899832 0.78 HDAC1 (0.55) L3MBTL1ATMPOLBTHRBALDH1A1

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-1354887-B1 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INST TECHNOLOGY (US) 2007-04-25 EP disclosed
EP-1097158-B1 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INST TECHNOLOGY (US) 2006-01-25 EP disclosed
EP-1354887-A1 Ligands for metals and improved metal-catalyzed processes based thereon Massachusetts Insitute of Technology (US) 2003-10-22 EP disclosed