SCHEMBL6714522

SCHEMBL6714522

CCc1cc2c(=O)c(C(=O)O)c[nH]c2cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
KDM4E B2RXH2 2/20 0.50
PRKAB2 O43741 7/20 0.48
PRKAG1 P54619 7/20 0.48
PRKAA2 P54646 7/20 0.48
PRKAA1 Q13131 7/20 0.48
PRKAG3 Q9UGI9 7/20 0.48
PRKAG2 Q9UGJ0 7/20 0.48
PRKAB1 Q9Y478 7/20 0.48
MDH2 P40926 2/20 0.48
CSNK2A2 P19784 3/20 0.48
CSNK2B P67870 3/20 0.48
CSNK2A1 P68400 3/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ADRB2 P07550 1/20 0.47
RECQL P46063 1/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL10955456 0.84 KDM4E (0.49) HTTKDM4EPRKAB2PRKAG1PRKAA2
SCHEMBL6713044 0.84 MDH2 (0.55) KDM4EPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL8913208 0.83 HTT (0.51) HTTKDM4EMDH2MEN1KMT2A
SCHEMBL6712878 0.82 CSNK2A2 (0.54) HTTKDM4EPRKAB2PRKAG1PRKAA2
SCHEMBL6717561 0.80 MDH2 (0.54) KDM4EPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL3646574 0.80 HTT (0.51) HTTKDM4EMDH2MEN1KMT2A
SCHEMBL4649270 0.80 KDM4E (0.57) KDM4EPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL10478126 0.79 KDM4E (0.60) KDM4EPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4650048 0.79 KDM4E (0.50) KDM4EPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL15956339 0.79 GABRA1 (0.57) HTTKDM4EMDH2MEN1KMT2A

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-1453846-A1 MACROLIDES GLAXO GROUP LIMITED (GB) 2004-09-08 EP disclosed
WO-2003042228-A1 MACROLIDES GLAXO GROUP LIMITED (GB) 2003-05-22 WO disclosed