SCHEMBL4960099

SCHEMBL4960099

O=C(O)CCOCCOCCCc1cc2c(=O)c(C(=O)O)c[nH]c2cc1C1CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
MDH2 P40926 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.37
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
ALOX12 P18054 1/20 0.35
KMT2A Q03164 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
SCHEMBL4960348 0.90 HTT (0.40) HTTALDH1A1HPGDMDH2SMN1; SMN2
SCHEMBL5194262 0.87 HTT (0.37) HTTALDH1A1HPGDMDH2SMN1; SMN2
SCHEMBL4963341 0.85 HTT (0.46) HTTALDH1A1HPGDMDH2SMN1; SMN2
SCHEMBL5191098 0.83 HTT (0.42) HTTALDH1A1HPGDMDH2SMN1; SMN2
SCHEMBL4966420 0.81 HTT (0.42) HTTALDH1A1HPGDMDH2SMN1; SMN2
SCHEMBL3812486 0.78 GABRA1 (0.53) HTTKDM4E
SCHEMBL4962848 0.74 HTT (0.47) HTTALDH1A1HPGDMDH2SMN1; SMN2
SCHEMBL5242756 0.73 HTT (0.49) HTTALDH1A1HPGDMDH2SMN1; SMN2
SCHEMBL4965536 0.72 HTT (0.43) HTTALDH1A1HPGDMDH2SMN1; SMN2
SCHEMBL4962381 0.72 KDM4E (0.48) HTTALDH1A1HPGDMDH2SMN1; 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