SCHEMBL6237556

SCHEMBL6237556

Cc1cccc(Oc2ccc3c(c2)CCC3=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 1/20 0.49
MAPT P10636 2/20 0.48
TP53 P04637 1/20 0.48
POLB P06746 1/20 0.48
MAOB P27338 6/20 0.46
MAOA P21397 2/20 0.46
HRH3 Q9Y5N1 3/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LYN P07948 1/20 0.43
NPC1 O15118 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
GRM5 P41594 2/20 0.41

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
SCHEMBL1745079 0.84 GRM5 (0.53) TDP1L3MBTL1MAPTMAOBMAOA
SCHEMBL6207455 0.76 MAOB (0.56) ALDH1A1MAOBMAOAHRH3CASP1
SCHEMBL13680642 0.76 PARP10 (0.64) CASP1CASP7HSD17B10GRM5HSD17B1
SCHEMBL27632859 0.76 CASP1 (0.59) MAOBMAOACASP1CASP7HSD17B10
SCHEMBL29726014 0.76 CASP1 (0.59) MAOBMAOACASP1CASP7HSD17B10
SCHEMBL423287 0.76 CASP1 (0.59) MAOBMAOACASP1CASP7HSD17B10
SCHEMBL268592 0.75 KDM4E (0.56) HTTALDH1A1MAPTMAOBHRH3
SCHEMBL7586081 0.75 MAOA (0.61) MAOBMAOAGRM5
SCHEMBL30966017 0.75 MAOA (0.65) MAOBMAOAGRM5
SCHEMBL12901556 0.75 MAOA (0.65) MAOBMAOAGRM5

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-1157015-B1 USE OF POLYCYCLIC 2-AMINO-THIAZOLE SYSTEMS FOR THE MANUFACTURE OF MEDICAMENTS FOR THE TREATMENT OF LIPOMETABOLIC DISORDERS, OBESITAS AND TYP II DIABETES AVENTIS PHARMA GMBH (DE) 2005-05-11 EP disclosed
EP-1173176-B1 UTILIZATION OF POLYCYCLIC 2-AMINO-THIAZOLE SYSTEMS IN THE PRODUCTION OF MEDICAMENTS FOR PROPHYLAXIS OR TREATMENT OF OBESITY AVENTIS PHARMA GMBH (DE) 2004-05-26 EP disclosed
US-6476059-B1 Use of polycyclic 2-aminothiazole systems for the treatment of obesity AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-11-05 US disclosed
EP-1173176-A1 UTILIZATION OF POLYCYCLIC 2-AMINO-THIAZOLE SYSTEMS IN THE PRODUCTION OF MEDICAMENTS FOR PROPHYLAXIS OR TREATMENT OF OBESITY Aventis Pharma Deutschland GmbH (DE) 2002-01-23 EP disclosed
EP-1157015-A1 POLYCYCLIC 2-AMINO-THIAZOLE SYSTEMS, METHOD FOR THE PRODUCTION THEREOF AND MEDICAMENT CONTAINING SAID COMPOUNDS Aventis Pharma Deutschland GmbH (DE) 2001-11-28 EP disclosed
US-6251922-B1 TREATMENT OF OBESITY AND DIABETES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-06-26 US disclosed
WO-2000051602-A1 UTILIZATION OF POLYCYCLIC 2-AMINO-THIAZOLE SYSTEMS IN THE PRODUCTION OF MEDICAMENTS FOR PROPHYLAXIS OR TREATMENT OF OBESITY AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-09-08 WO disclosed
WO-2000051995-A1 POLYCYCLIC 2-AMINO-THIAZOLE SYSTEMS, METHOD FOR THE PRODUCTION THEREOF AND MEDICAMENT CONTAINING SAID COMPOUNDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-09-08 WO disclosed