SCHEMBL6943565

SCHEMBL6943565

O=C(O)C(=O)CC(=O)c1cc(Cc2ccccc2)cc(CN2CCCCC2=O)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
HAO1 Q9UJM8 1/20 0.41
PTPN1 P18031 2/20 0.41
ACHE P22303 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
ERCC5 P28715 1/20 0.40
FEN1 P39748 1/20 0.40
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.39
GLS O94925 1/20 0.38

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
SCHEMBL7081648 0.81 L3MBTL1 (0.45) L3MBTL1ACHELMNAGLS
SCHEMBL6947604 0.79 ERCC5 (0.61) HAO1PTPN1ERCC5FEN1LMNA
SCHEMBL6950010 0.76 ALDH1A1 (0.50) HAO1PTPN1GAASMN1; SMN2ERCC5
SCHEMBL7671810 0.75 CYP19A1 (0.46) HAO1PTPN1ERCC5FEN1
SCHEMBL596252 0.74 L3MBTL1 (0.96) L3MBTL1ACHEGAASMN1; SMN2HRH3
SCHEMBL7269112 0.72 L3MBTL1 (1.00) L3MBTL1ACHEGAASMN1; SMN2HRH3
SCHEMBL1626076 0.72 L3MBTL1 (1.00) L3MBTL1ACHEGAASMN1; SMN2HRH3
SCHEMBL9212361 0.72 L3MBTL1 (1.00) L3MBTL1ACHEGAASMN1; SMN2HRH3
SCHEMBL610772 0.72 L3MBTL1 (1.00) L3MBTL1ACHEGAASMN1; SMN2HRH3
Hydrochloric Acid SCHEMBL27853152 0.72 L3MBTL1 (0.93) L3MBTL1ACHEGAASMN1; SMN2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1082121-A4 HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2003-02-05 EP claimed
US-6380249-B1 HIV integrase inhibitors MERCK & CO., INC. 2002-04-30 US claimed
EP-1082121-A1 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2001-03-14 EP claimed
WO-1999062520-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 1999-12-09 WO claimed
EP-1082121-A4 HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2003-02-05 EP disclosed
US-6380249-B1 HIV integrase inhibitors MERCK & CO., INC. 2002-04-30 US disclosed
EP-1082121-A1 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2001-03-14 EP disclosed
WO-1999062520-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 1999-12-09 WO disclosed