SCHEMBL5204910

SCHEMBL5204910

C=CCOc1ccc(Oc2ccc(C(=O)OCC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
NPC1 O15118 1/20 0.56
POLB P06746 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ADRB2 P07550 1/20 0.55
ADRB1 P08588 1/20 0.55
ADRB3 P13945 1/20 0.55
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
ESR1 P03372 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
ESR2 Q92731 1/20 0.50
CA14 Q9ULX7 1/20 0.50
STS P08842 1/20 0.49
LMNA P02545 3/20 0.49

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
SCHEMBL1515794 0.95 MAPT (0.59) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL7310001 0.91 NPC1 (0.56) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL9152506 0.90 TDP1 (0.56) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL8949705 0.85 MAPT (0.60) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL19892096 0.84 ADRB2 (0.59) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL8656770 0.84 CA12 (0.68) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL11048573 0.82 CA1 (0.61) MAPTNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL9359957 0.82 SNCA (0.58) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL12926339 0.82 L3MBTL1 (0.56) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL9374393 0.81 CA12 (0.56) MAPTSMN1; SMN2TDP1L3MBTL1CA12

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