SCHEMBL4776415

SCHEMBL4776415

CCOc1ccc2c(C(=O)O)c[nH]c2c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.63
PRKAG1 P54619 1/20 0.63
PRKAA2 P54646 1/20 0.63
PRKAA1 Q13131 1/20 0.63
PRKAG3 Q9UGI9 1/20 0.63
PRKAG2 Q9UGJ0 1/20 0.63
PRKAB1 Q9Y478 1/20 0.63
MDH2 P40926 2/20 0.59
ALDH1A1 P00352 1/20 0.59
HPGD P15428 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
HTT P42858 1/20 0.56
MAPT P10636 1/20 0.56

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
SCHEMBL1558962 0.90 PRKAB2 (0.53) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL17429435 0.88 HTT (0.67) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL10321838 0.85 MDH2 (0.59) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6028950 0.85 MAPT (0.53) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL2010976 0.83 HTT (0.81) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL30075344 0.83 MAPT (0.73) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL590922 0.83 MAPT (0.73) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL16714028 0.81 MDH2 (0.85) MDH2ALDH1A1HPGDSMN1; SMN2
SCHEMBL4604830 0.79 CYP2C19 (0.51) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL1563193 0.79 TUBB1 (0.80) SMN1; SMN2MAPT

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-1984332-A2 METHODS FOR TREATING HEPATITIS C PTC Therapeutics, Inc. (US) 2008-10-29 EP disclosed
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed