SCHEMBL8800892

SCHEMBL8800892

O=C(Oc1ccccc1)C(Oc1nc(OC(C(=O)Oc2ccccc2)C(Cc2ccccc2)c2cccs2)nc(OC(C(=O)Oc2ccccc2)C(Cc2ccccc2)c2cccs2)n1)C(Cc1ccccc1)c1cccs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.39
PPARA Q07869 6/20 0.39
TSHR P16473 4/20 0.34
MAPT P10636 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 3/20 0.34
PTPN1 P18031 1/20 0.34
CYP19A1 P11511 1/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 2/20 0.32
FFAR1 O14842 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP2C19 P33261 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL9570425 0.81 LMNA (0.38) PPARGPPARATSHRMAPTALDH1A1
SCHEMBL8800805 0.81 PPARG (0.41) PPARGPPARATSHRMAPTNPC1
SCHEMBL8801705 0.80 PPARG (0.40) PPARGPPARATSHRMAPTALDH1A1
SCHEMBL8800961 0.78 TSHR (0.41) PPARGPPARATSHRL3MBTL1ALDH1A1
SCHEMBL8802092 0.77 PPARG (0.38) PPARGPPARATSHRMAPTALDH1A1
SCHEMBL11601023 0.70 TSHR (0.43) TSHRMAPTL3MBTL1ALDH1A1KMT2A
SCHEMBL27603064 0.69 CES2 (0.51) TSHRMAPTNPC1RAB9AL3MBTL1
SCHEMBL8802018 0.68 LMNA (0.38) PPARGPPARATSHRL3MBTL1ALDH1A1
SCHEMBL11474849 0.68 TSHR (0.42) PPARGPPARATSHRMAPTL3MBTL1
SCHEMBL8801701 0.67 MTNR1A (0.43) TSHRMAPTNPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0580916-B1 N(1) substituted pyrazino [2,3-c]-1,2,6-thiadiazine 2,2-dioxides and their use as pharmaceuticals PRODESFARMA SA (ES) 1997-03-05 EP claimed