SCHEMBL4965536

SCHEMBL4965536

COCCc1cc2[nH]cc(C(=O)O)c(=O)c2cc1CCCOCCO

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
KDM4E B2RXH2 3/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
MDH2 P40926 1/20 0.40
POLB P06746 1/20 0.40
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL4962848 0.91 HTT (0.47) HTTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL5242756 0.90 HTT (0.49) HTTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4961058 0.87 HTT (0.40) HTTKDM4EMAPK1ALDH1A1HPGD
SCHEMBL4963567 0.84 HTT (0.43) HTTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4960348 0.82 HTT (0.40) HTTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4961098 0.81 HTT (0.40) HTTKDM4EMAPK1ALDH1A1HPGD
SCHEMBL4963341 0.81 HTT (0.46) HTTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4961480 0.80 HTT (0.48) HTTKDM4EMAPK1ALDH1A1HPGD
SCHEMBL3812183 0.78 HTT (0.52) HTTKDM4E
SCHEMBL5194886 0.78 HTT (0.45) HTTKDM4EALDH1A1HPGDSMN1; SMN2

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-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
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