SCHEMBL8315737

SCHEMBL8315737

O=C1NC(=O)C(Cc2ccc(Oc3ccc4ccc(Oc5ccc(CC6SC(=O)NC6=O)cc5)cc4c3)cc2)S1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
FFAR1 O14842 7/20 0.56
PPARA Q07869 2/20 0.56
THRA P10827 2/20 0.54
THRB P10828 2/20 0.54
MAOA P21397 1/20 0.54
CISD1 Q9NZ45 1/20 0.54
PPARG P37231 8/20 0.53
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 1/20 0.52
TP53 P04637 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
KMT2A Q03164 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
HRH3 Q9Y5N1 1/20 0.51

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
SCHEMBL8314990 0.97 MAPT (0.60) MAPTFFAR1PPARATHRATHRB
SCHEMBL8312939 0.90 MAPT (0.69) MAPTFFAR1PPARAMAOACISD1
SCHEMBL8313625 0.88 FFAR1 (0.61) MAPTFFAR1PPARATHRATHRB
SCHEMBL8252079 0.83 PPARG (0.71) MAPTFFAR1PPARAPPARGALDH1A1
SCHEMBL4034369 0.83 MAPT (0.60) MAPTFFAR1PPARAPPARGALDH1A1
SCHEMBL13846731 0.81 CA2 (0.64) MAPTFFAR1PPARAMAOACISD1
SCHEMBL3794041 0.81 MAPT (0.57) MAPTFFAR1PPARAPPARGALDH1A1
SCHEMBL525525 0.81 PPARG (0.59) MAPTFFAR1PPARAPPARGALDH1A1
SCHEMBL8317057 0.81 PPARG (0.62) MAPTFFAR1PPARAPPARGALDH1A1
SCHEMBL28518560 0.81 MAPT (0.53) MAPTFFAR1PPARATHRBPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0597102-B1 NOVEL BISHETEROCYCLIC DERIVATIVE OR SALT THEREOF AND HYPOGLYCEMIC COMPOSITION YAMANOUCHI PHARMA CO LTD (JP) 1999-01-07 EP disclosed
US-5508296-A HYPOGLYCEMIC AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1996-04-16 US disclosed
EP-0597102-A1 NOVEL BISHETEROCYCLIC DERIVATIVE OR SALT THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1994-05-18 EP disclosed