SCHEMBL6852949

SCHEMBL6852949

COc1ccccc1-c1cc(Cl)c(O)c(C(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 8/20 0.61
AKR1C1 Q04828 8/20 0.61
ERN1 O75460 3/20 0.51
EIF4E P06730 1/20 0.51
DHODH Q02127 3/20 0.50
AKR1C4 P17516 1/20 0.49
AKR1C3 P42330 1/20 0.49
ACLY P53396 1/20 0.48
CLCN2 P51788 1/20 0.47
MCL1 Q07820 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
SCHEMBL6849618 0.86 DHODH (0.51) AKR1C2ERN1EIF4EDHODHAKR1C3
SCHEMBL11692771 0.85 AKR1C2 (0.50) AKR1C2AKR1C1EIF4EAKR1C4AKR1C3
SCHEMBL6850839 0.81 AKR1C2 (0.71) AKR1C2AKR1C1DHODHAKR1C4AKR1C3
SCHEMBL31721571 0.80 DHODH (0.53) ERN1DHODHMCL1
SCHEMBL3564439 0.78 MAP4K1 (0.60)
SCHEMBL3488761 0.77 AKR1C2 (0.45) AKR1C2AKR1C1EIF4EDHODHACLY
SCHEMBL11228183 0.77 AKR1C2 (1.00) AKR1C2AKR1C1AKR1C4AKR1C3MCL1
SCHEMBL27722168 0.75 HPGD (0.54) ERN1DHODHCLCN2MCL1
SCHEMBL10024254 0.75 DHODH (0.56) AKR1C2EIF4EDHODHAKR1C3MCL1
SCHEMBL13602473 0.74 DHODH (0.53) AKR1C2EIF4EDHODHAKR1C3

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

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