SCHEMBL6850839

SCHEMBL6850839

O=C(O)c1cc(-c2ccccc2O)cc(Cl)c1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 12/20 0.71
AKR1C1 Q04828 12/20 0.71
AKR1C4 P17516 2/20 0.56
AKR1C3 P42330 2/20 0.56
PRKAB2 O43741 1/20 0.52
PRKAG1 P54619 1/20 0.52
PRKAA2 P54646 1/20 0.52
PRKAA1 Q13131 1/20 0.52
PRKAG3 Q9UGI9 1/20 0.52
PRKAG2 Q9UGJ0 1/20 0.52
PRKAB1 Q9Y478 1/20 0.52
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
PTPN1 P18031 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
PKM P14618 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL27701088 0.84 ACMSD (0.50) AKR1C2AKR1C1PRKAB2PRKAG1PRKAA2
SCHEMBL11228183 0.83 AKR1C2 (1.00) AKR1C2AKR1C1AKR1C4AKR1C3ALDH1A1
SCHEMBL6852949 0.81 AKR1C2 (0.61) AKR1C2AKR1C1AKR1C4AKR1C3DHODH
SCHEMBL28858747 0.76 ACMSD (0.58) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
Benzene SCHEMBL28275936 0.75 AKR1C2 (0.96) AKR1C2AKR1C1AKR1C4AKR1C3ALDH1A1
Salicylic Acid SCHEMBL9615202 0.73 PTPN1 (0.67) AKR1C2AKR1C1AKR1C4AKR1C3ALDH1A1
SCHEMBL29375230 0.73 AKR1C2 (1.00) AKR1C2AKR1C1AKR1C4AKR1C3ALDH1A1
SCHEMBL184603 0.73 AKR1C2 (1.00) AKR1C2AKR1C1AKR1C4AKR1C3ALDH1A1
SCHEMBL13522879 0.72 KMT2A (0.65) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL10024265 0.72 MCL1 (0.67) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1294378-A4 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORP (US) 2004-01-28 EP disclosed
EP-1294378-A2 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 2003-03-26 EP disclosed
WO-2001089457-A2 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 2001-11-29 WO disclosed