SCHEMBL6936456

SCHEMBL6936456

CCCc1cc(C(=S)c2ccccc2)ccc1OCCCCOc1ccc(CC(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.49
PPARD Q03181 6/20 0.49
PPARA Q07869 5/20 0.49
LTB4R Q15722 8/20 0.48
PLA2G4B P0C869 1/20 0.47
LTB4R2 Q9NPC1 6/20 0.47
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
PTPN11 Q06124 1/20 0.43
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43

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
SCHEMBL6938370 0.88 PPARG (0.58) PPARGPPARDPPARALTB4RLTB4R2
SCHEMBL6936579 0.81 PPARG (0.63) PPARGPPARDPPARA
SCHEMBL6935714 0.80 PPARG (0.61) PPARGPPARDPPARALTB4RPLA2G4B
SCHEMBL5208194 0.78 PPARD (0.55) PPARGPPARDPPARA
SCHEMBL6938259 0.77 LTB4R (0.52) PPARGPPARDPPARALTB4R
SCHEMBL6936861 0.77 PPARA (0.59) PPARGPPARDPPARALTB4R
SCHEMBL6933761 0.76 LTB4R (0.51) PPARGPPARDPPARALTB4RNR1H2
SCHEMBL6933038 0.75 PPARD (0.61) PPARGPPARDPPARAPLA2G4B
SCHEMBL6937123 0.75 PLA2G4B (0.54) PPARGPPARDPPARALTB4RPLA2G4B
SCHEMBL5205154 0.74 PPARG (0.57) PPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888278-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2003-07-23 EP claimed
EP-0888278-A4 ANTIDIABETIC AGENTS MERCK & CO INC (US) 1999-06-30 EP claimed
EP-0888278-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-01-07 EP claimed
WO-1997028115-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 WO claimed
EP-0888278-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2003-07-23 EP disclosed
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