SCHEMBL5193579

SCHEMBL5193579

CCOC(=O)c1c[nH]c2cc(Cl)c(C3CC3)cc2c1=O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.56
GABRB2 P47870 3/20 0.56
GABRB1 P18505 2/20 0.55
GABRA3 P34903 2/20 0.55
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
CLEC4M Q9H2X3 1/20 0.46
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL7514224 0.86 GABRA1 (0.61) GABRA1GABRB2GABRB1GABRA3MEN1
SCHEMBL28289180 0.85 GABRA1 (0.66) GABRA1GABRB2GABRB1GABRA3MEN1
SCHEMBL4965511 0.84 GABRA1 (0.56) GABRA1GABRB2GABRB1GABRA3MEN1
SCHEMBL7166839 0.83 GABRA1 (0.63) GABRA1GABRB2GABRB1GABRA3MEN1
SCHEMBL5303665 0.82 KDM4E (0.48) MEN1KMT2AALDH1A1HPGDHSD17B10
SCHEMBL11026759 0.81 GABRA1 (0.66) GABRA1GABRB2GABRB1GABRA3MEN1
SCHEMBL5681642 0.81 GABRA1 (0.60) GABRA1GABRB2GABRB1GABRA3MEN1
SCHEMBL29576698 0.81 GABRA1 (0.60) GABRA1GABRB2GABRB1GABRA3MEN1
SCHEMBL27743075 0.81 GABRA1 (0.47) GABRA1GABRB2GABRB1GABRA3MEN1
SCHEMBL5255312 0.80 POLB (0.61) GABRA1GABRB2GABRB1GABRA3MEN1

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
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-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