SCHEMBL8460445

SCHEMBL8460445

O=C1NC(=O)C(Cc2ccc(OCCN3Cc4ccccc4C3=O)cc2)S1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 12/20 0.57
PPARG P37231 8/20 0.57
HRH3 Q9Y5N1 1/20 0.56
PPARA Q07869 2/20 0.50
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 1/20 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
SCHEMBL9121324 0.95 HRH3 (0.60) FFAR1PPARGHRH3PPARAMEN1
SCHEMBL9123993 0.90 HRH3 (0.57) FFAR1PPARGHRH3PPARAMEN1
SCHEMBL8797059 0.84 FFAR1 (0.56) FFAR1PPARGHRH3PPARAMEN1
SCHEMBL6953746 0.83 FFAR1 (0.55) FFAR1PPARGHRH3PPARAMEN1
SCHEMBL7453486 0.83 FFAR1 (0.55) FFAR1PPARGHRH3PPARAMEN1
SCHEMBL8796744 0.83 PPARG (0.55) FFAR1PPARGHRH3PPARAMEN1
SCHEMBL31486881 0.83 FFAR1 (0.55) FFAR1PPARGHRH3PPARAMEN1
SCHEMBL9143087 0.83 FFAR1 (0.64) FFAR1PPARGHRH3PPARAHPGD
SCHEMBL291316 0.82 HRH3 (0.59) FFAR1PPARGHRH3PPARAMEN1
SCHEMBL30385807 0.82 HRH3 (0.59) FFAR1PPARGHRH3PPARAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999059586-A1 THIAZOLIDINE AND OXAZOLIDINE DERIVATIVES FOR THE TREATMENT OF ACUTE MYOCARDIAL INFARCTION AND INHIBITION OF CARDIOMYOCYTE APOPTOSIS REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-11-25 WO claimed
EP-0555264-A1 NOVEL COMPOUNDS BEECHAM GROUP plc (GB) 1993-08-18 EP claimed
WO-1992007850-A1 NOVEL COMPOUNDS BEECHAM GROUP PLC (GB) 1992-05-14 WO claimed
WO-1999059586-A1 THIAZOLIDINE AND OXAZOLIDINE DERIVATIVES FOR THE TREATMENT OF ACUTE MYOCARDIAL INFARCTION AND INHIBITION OF CARDIOMYOCYTE APOPTOSIS REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-11-25 WO disclosed
US-5478851-A Hyperglycemic agent and antilipemic agent BEECHAM GROUP PLC (GB) 1995-12-26 US disclosed