SCHEMBL5208631

SCHEMBL5208631

COc1ccc2c(CC(C)(C)C)coc2c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
CYP11B1 P15538 3/20 0.50
CYP11B2 P19099 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
PIN1 Q13526 1/20 0.50
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 3/20 0.48
GAA P10253 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
RAB9A P51151 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TSHR P16473 1/20 0.46
CYP19A1 P11511 1/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL21807582 0.83 MAPT (0.53) MAPTTDP1KDM4EALDH1A1GAA
SCHEMBL21807608 0.83 MAPT (0.45) MAPTCYP11B1CYP11B2TDP1PIN1
SCHEMBL23188008 0.82 CYP11B1 (0.57) MAPTCYP11B1CYP11B2TDP1PIN1
SCHEMBL1451105 0.81 KDM4E (0.53) MAPTCYP11B1CYP11B2TDP1PIN1
SCHEMBL5211335 0.80 MAOA (0.50) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL21836437 0.79 MAPT (0.46) MAPTCYP11B1CYP11B2TDP1PIN1
SCHEMBL21836439 0.79 MAPT (0.46) MAPTCYP11B1CYP11B2TDP1PIN1
SCHEMBL21807610 0.79 MAPT (0.60) MAPTTDP1KDM4EALDH1A1GAA
SCHEMBL4137019 0.78 MTNR1A (0.51) MAPTCYP11B1CYP11B2TDP1PIN1
SCHEMBL1104013 0.78 ADRA1A (0.53) MAPTCYP11B1CYP11B2TDP1PIN1

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 10 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-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