SCHEMBL8314978

SCHEMBL8314978

O=C1NC(=O)C(Cc2ccc(OCc3ccccc3COc3ccc(CC4SC(=O)NC4=O)cc3)cc2)S1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.70
PPARA Q07869 4/20 0.70
PPARG P37231 8/20 0.66
MAPT P10636 2/20 0.58
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 1/20 0.58
TP53 P04637 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
HPGD P15428 1/20 0.58
ALOX15 P16050 1/20 0.58
TSHR P16473 1/20 0.58
KMT2A Q03164 1/20 0.58
HSD17B10 Q99714 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
HRH3 Q9Y5N1 1/20 0.57

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
SCHEMBL1299855 0.89 FFAR1 (0.80) FFAR1PPARAPPARGMAPTMEN1
SCHEMBL8312136 0.89 FFAR1 (0.87) FFAR1PPARAPPARGMAPTMEN1
SCHEMBL1072226 0.86 FFAR1 (0.77) FFAR1PPARAPPARGMAPTMEN1
SCHEMBL1299621 0.86 FFAR1 (0.83) FFAR1PPARAPPARGMAPTMEN1
SCHEMBL8316232 0.85 FFAR1 (0.84) FFAR1PPARAPPARGMAPTMEN1
SCHEMBL19559777 0.85 FFAR1 (0.61) FFAR1PPARAPPARGMAPTMEN1
SCHEMBL9570670 0.84 FFAR1 (0.71) FFAR1PPARAPPARGMAPTMEN1
SCHEMBL17536165 0.83 FFAR1 (0.69) FFAR1PPARAPPARGMAPTMEN1
SCHEMBL9570560 0.83 FFAR1 (0.69) FFAR1PPARAPPARGMAPTMEN1
SCHEMBL9570574 0.83 FFAR1 (0.69) FFAR1PPARAPPARGMAPTMEN1

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