SCHEMBL4980197

SCHEMBL4980197

CCOC(=O)c1cn(CC)c2ccc(C#CCN3CCN(C(=O)OC(C)(C)C)CC3)cc2c1=O.CCOC(=O)c1cn(CC)c2ccc(I)cc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
HPGD P15428 3/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HSD17B10 Q99714 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
POLB P06746 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTPN1 P18031 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL13799056 0.95 LMNA (0.51) LMNAHPGDALDH1A1KDM4EHSD17B10
SCHEMBL13997266 0.84 LMNA (0.51) LMNAHPGDALDH1A1KDM4EHSD17B10
SCHEMBL3818349 0.84 LMNA (0.52) LMNAHPGDALDH1A1KDM4EHSD17B10
SCHEMBL13799057 0.81 LMNA (0.56) LMNAHPGDALDH1A1KDM4EHSD17B10
SCHEMBL4964338 0.80 HPGD (0.45) LMNAHPGDALDH1A1KDM4EHSD17B10
SCHEMBL4178158 0.80 HPGD (0.47) LMNAHPGDALDH1A1KDM4EHSD17B10
SCHEMBL4086467 0.78 LMNA (0.57) LMNAHPGDALDH1A1KDM4EHSD17B10
SCHEMBL3974096 0.77 LMNA (0.56) LMNAHPGDALDH1A1KDM4EHSD17B10
SCHEMBL1429954 0.77 LMNA (0.74) LMNAHPGDALDH1A1KDM4EHSD17B10
SCHEMBL1430353 0.76 HPGD (0.47) LMNAHPGDALDH1A1KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879904-A1 4\" AMINO LINKED MACROLIDES USEFUL FOR THE TREATMENT OF MICROBIAL INFECTIONS GlaxoSmithKline istrazivacki centar Zagreb d.o.o. (HR) 2008-01-23 EP disclosed
EP-1756134-A1 CARBAMATE LINKED MACROLIDES USEFUL FOR THE TREATMENT OF MICROBIAL INFECTIONS GlaxoSmithKline istrazivacki centar Zagreb d.o.o. (HR) 2007-02-28 EP disclosed
EP-1756135-A1 ESTER LINKED MACROLIDES USEFUL FOR THE TREATMENT OF MICROBIAL INFECTIONS GlaxoSmithKline istrazivacki centar Zagreb d.o.o. (HR) 2007-02-28 EP disclosed
WO-2006120545-A1 4' AMINO LINKED MACROLIDES USEFUL FOR THE TREATMENT OF MICROBIAL INFECTIONS GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2006-11-16 WO disclosed
WO-2005108412-A1 ESTER LINKED MACROLIDES USEFUL FOR THE TREATMENT OF MICROBIAL INFECTIONS GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (US) 2005-11-17 WO disclosed
WO-2005108413-A1 CARBAMATE LINKED MACROLIDES USEFUL FOR THE TREATMENT OF MICROBIAL INFECTIONS GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O (US) 2005-11-17 WO disclosed