SCHEMBL4963341

SCHEMBL4963341

CCc1cc2[nH]cc(C(=O)O)c(=O)c2cc1CCCOCCOCCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
MDH2 P40926 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GABRA1 P14867 2/20 0.40
GABRB2 P47870 2/20 0.40
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
ADRB2 P07550 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 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 0.89 HTT (0.47) HTTALDH1A1HPGDMDH2SMN1; SMN2
SCHEMBL4966420 0.85 HTT (0.42) HTTALDH1A1HPGDMDH2SMN1; SMN2
SCHEMBL4960099 0.85 HTT (0.39) HTTALDH1A1HPGDMDH2SMN1; SMN2
SCHEMBL5242756 0.84 HTT (0.49) HTTALDH1A1HPGDMDH2SMN1; SMN2
SCHEMBL4972279 0.82 HTT (0.43) HTTALDH1A1HPGDMDH2SMN1; SMN2
Hydrochloric Acid SCHEMBL5191003 0.82 HTT (0.47) HTTALDH1A1HPGDMDH2SMN1; SMN2
SCHEMBL5194886 0.82 HTT (0.45) HTTALDH1A1HPGDMDH2SMN1; SMN2
SCHEMBL4965536 0.81 HTT (0.43) HTTALDH1A1HPGDMDH2SMN1; SMN2
SCHEMBL3812486 0.81 GABRA1 (0.53) HTTGABRA1GABRB2KDM4E
Formic Acid SCHEMBL5161456 0.79 HTT (0.44) 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 4 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-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