SCHEMBL8440247

SCHEMBL8440247

CCCc1c(OCCCSc2ccc(OC(=O)CC)cc2Cl)ccc(CCC=NO)c1OC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.45
PPARD Q03181 9/20 0.45
PPARA Q07869 9/20 0.45
LMNA P02545 2/20 0.39
PKM P14618 2/20 0.39
HTT P42858 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
PTGS2 P35354 3/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
LTB4R Q15722 2/20 0.31

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
SCHEMBL8442373 0.92 PPARG (0.46) PPARGPPARDPPARALMNAPKM
SCHEMBL8665584 0.90 PPARG (0.52) PPARGPPARDPPARALMNAPKM
SCHEMBL6937003 0.84 PPARG (0.60) PPARGPPARDPPARALMNAPKM
SCHEMBL8439203 0.79 PPARG (0.52) PPARGPPARDPPARALMNAPKM
SCHEMBL8439529 0.79 PPARG (0.55) PPARGPPARDPPARALMNAPKM
SCHEMBL8443096 0.79 PPARD (0.61) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6932943 0.78 PPARG (0.60) PPARGPPARDPPARALMNAPKM
SCHEMBL6939084 0.78 PPARG (0.60) PPARGPPARDPPARALMNAPKM
SCHEMBL7043241 0.76 PPARG (0.74) PPARGPPARDPPARALMNANR1H2
SCHEMBL8442424 0.75 PPARG (0.59) PPARGPPARDPPARANR1H2NR1H3

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-0888278-A4 ANTIDIABETIC AGENTS MERCK & CO INC (US) 1999-06-30 EP disclosed
EP-0888278-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-01-07 EP disclosed
WO-1997028115-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 WO disclosed