SCHEMBL4964099

SCHEMBL4964099

CN(C)c1cc2[nH]cc(C(=O)O)c(=O)c2cc1CCCO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ADRB2 P07550 1/20 0.44
RECQL P46063 1/20 0.44
PRKAB2 O43741 1/20 0.43
PRKAG1 P54619 1/20 0.43
PRKAA2 P54646 1/20 0.43
PRKAA1 Q13131 1/20 0.43
PRKAG3 Q9UGI9 1/20 0.43
PRKAG2 Q9UGJ0 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43
HTT P42858 1/20 0.42
HPGD P15428 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MDH2 P40926 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 2/20 0.41
ALOX12 P18054 1/20 0.41
HSD17B10 Q99714 2/20 0.40

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
SCHEMBL4963567 0.89 HTT (0.43) KDM4EMEN1KMT2AADRB2RECQL
SCHEMBL4966420 0.84 HTT (0.42) KDM4EMEN1KMT2AADRB2RECQL
SCHEMBL4961388 0.81 HTT (0.40) KDM4EMEN1KMT2AADRB2RECQL
SCHEMBL4963693 0.81 HTT (0.39) KDM4EMEN1KMT2AADRB2RECQL
SCHEMBL4960045 0.77 KDM4E (0.49) KDM4EMEN1KMT2AADRB2RECQL
SCHEMBL5242756 0.75 HTT (0.49) KDM4EHTTHPGDALDH1A1MDH2
SCHEMBL4962848 0.74 HTT (0.47) KDM4EMEN1KMT2AADRB2RECQL
SCHEMBL4960856 0.73 HTT (0.44) KDM4EMEN1KMT2AADRB2RECQL
SCHEMBL4965536 0.72 HTT (0.43) KDM4EPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL11022445 0.71 KDM4E (0.55) KDM4EMEN1KMT2AHTTHPGD

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-1879903-A1 ETHER LINKED MACROLIDES USEFUL FOR THE TREATMENT OF MICROBIAL INFECTIONS GlaxoSmithKline istrazivacki centar Zagreb d.o.o. (HR) 2008-01-23 EP disclosed
WO-2006120541-A1 ETHER LINKED MACROLIDES USEFUL FOR THE TREATMENT OF MICROBIAL INFECTIONS GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (US) 2006-11-16 WO disclosed