SCHEMBL6561729

SCHEMBL6561729

CCCc1c(O)cccc1OCC(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.51
TDP1 Q9NUW8 3/20 0.51
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
ALDH1A1 P00352 1/20 0.48
ROCK2 O75116 1/20 0.46
TNKS O95271 1/20 0.46
PARP1 P09874 1/20 0.46
ROCK1 Q13464 1/20 0.46
PARP14 Q460N5 1/20 0.46
PARP10 Q53GL7 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
PARP3 Q9Y6F1 1/20 0.46
LMNA P02545 3/20 0.46
MAPK1 P28482 2/20 0.46
LTB4R Q15722 1/20 0.46
MAPT P10636 4/20 0.44
NPSR1 Q6W5P4 3/20 0.44
RAB9A P51151 2/20 0.44
ATM Q13315 1/20 0.44

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
SCHEMBL8957184 0.85 LTB4R (0.58) L3MBTL1TDP1ALDH1A1LMNALTB4R
SCHEMBL6561740 0.81 LTB4R (0.46) LTB4R
SCHEMBL9787116 0.80 L3MBTL1 (0.65) L3MBTL1TDP1MEN1KMT2AALDH1A1
SCHEMBL6559825 0.79 ALDH1A1 (0.49) ALDH1A1LTB4RHTT
SCHEMBL8949549 0.79 ABCB1 (0.49) L3MBTL1ALDH1A1LMNAMAPK1LTB4R
SCHEMBL9312500 0.77 LMNA (0.53) LMNALTB4R
SCHEMBL9787048 0.77 L3MBTL1 (0.73) L3MBTL1TDP1MEN1KMT2AALDH1A1
SCHEMBL8586495 0.76 LTB4R (0.57) LTB4R
SCHEMBL9787058 0.76 L3MBTL1 (0.71) L3MBTL1TDP1MEN1KMT2AALDH1A1
SCHEMBL8949933 0.75 LTB4R (0.58) TDP1MEN1KMT2AALDH1A1LTB4R

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-0904079-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2004-03-24 EP disclosed
EP-0904079-A4 1999-05-06 EP disclosed
EP-0904079-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-03-31 EP disclosed
US-5859051-A ACETYLPHENOL DERIVATIVES MERCK & CO., INC. (US) 1999-01-12 US disclosed
WO-1997027857-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 WO disclosed
WO-1997028149-A1 METHOD FOR RAISING HDL CHOLESTEROL LEVELS MERCK & CO., INC. (US) 1997-08-07 WO disclosed