SCHEMBL5208440

SCHEMBL5208440

C=CCc1cc(Oc2ccc(C)cc2)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 6/20 0.53
GABRB2 P47870 6/20 0.53
POLB P06746 2/20 0.46
ALOX5 P09917 3/20 0.43
CNR2 P34972 3/20 0.43
MEN1 O00255 2/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
CNR1 P21554 2/20 0.43
KMT2A Q03164 2/20 0.43
GABRB1 P18505 1/20 0.43
RXRA P19793 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
SIRT3 Q9NTG7 1/20 0.43
AKR1B1 P15121 2/20 0.42
XDH P47989 1/20 0.42
AMY1A P0DUB6 1/20 0.40

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
SCHEMBL1951863 0.90 GABRA1 (0.63) GABRA1GABRB2POLBALOX5CNR2
SCHEMBL774628 0.86 GABRA1 (0.54) GABRA1GABRB2POLBALOX5CNR2
SCHEMBL8635378 0.85 LTA4H (0.51) GABRA1GABRB2POLBALOX5CNR2
SCHEMBL29394182 0.85 GABRA1 (0.66) GABRA1GABRB2POLBALOX5CNR2
SCHEMBL3821503 0.85 GABRA1 (0.66) GABRA1GABRB2POLBALOX5CNR2
SCHEMBL5972997 0.84 GABRA1 (0.53) GABRA1GABRB2POLBALOX5CNR2
SCHEMBL3550152 0.84 GABRA1 (0.53) GABRA1GABRB2POLBALOX5CNR2
SCHEMBL8633405 0.84 GABRA1 (0.49) GABRA1GABRB2POLBALOX5CNR2
Methane SCHEMBL27543711 0.83 GABRA1 (0.63) GABRA1GABRB2POLBALOX5CNR2
SCHEMBL5209444 0.81 POLB (0.58) GABRA1GABRB2POLBALOX5CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1040102-B1 ARYLTHIAZOLIDINEDIONE DERIVATIVES MERCK & CO INC (US) 2007-01-24 EP disclosed
EP-1194146-B1 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES MERCK & CO INC (US) 2006-07-19 EP disclosed
EP-1040102-A4 ARYLTHIAZOLIDINEDIONE DERIVATIVES MERCK & CO INC (US) 2002-11-27 EP disclosed
EP-1194146-A4 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES MERCK & CO INC (US) 2002-07-31 EP disclosed
US-6399640-B1 ANTIDIABETIC AGENTS; ANTICHOLESTEROL AGENTS MERCK & CO., INC. 2002-06-04 US disclosed
EP-1194146-A1 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES Merck & Co., Inc. (US) 2002-04-10 EP disclosed
US-6200998-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR AGONISTS; ANTICHOLESTEROL, ANTIDIABETIC AND ANTIOBESITY AGENTS MERCK & CO., INC. 2001-03-13 US disclosed
WO-2000078312-A1 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES MERCK & CO., INC. (US) 2000-12-28 WO disclosed
EP-1040102-A1 ARYLTHIAZOLIDINEDIONE DERIVATIVES Merck & Co., Inc. (US) 2000-10-04 EP disclosed
US-6008237-A POTENT AGONISTS OF PEROXIDSOME PROLIFERATOR ACTIVATED RECEPTOR; FOR CONTROLLING OR PREVENTING OF DIABETES, HYPERGLYCEMIA, HYPERLIPIDEMIA, HYPERCHOLESTEROLEMIA, ATHEROSCLEROSIS, OBESITY, VASCULAR RESTENOSIS MERCK & CO., INC. (US) 1999-12-28 US disclosed
WO-1999032465-A1 ARYLTHIAZOLIDINEDIONE DERIVATIVES MERCK & CO., INC. (US) 1999-07-01 WO disclosed