SCHEMBL6932996

SCHEMBL6932996

CCCc1cc(C(=O)/C=N/O)ccc1OCCCSc1ccc(CC(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.43
PPARD Q03181 11/20 0.43
PPARA Q07869 11/20 0.43
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
PTPN11 Q06124 1/20 0.39
LTB4R Q15722 1/20 0.39
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
PLA2G2D Q9UNK4 1/20 0.37
CYSLTR2 Q9NS75 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL6933000 1.00 PPARG (0.43) PPARGPPARDPPARAPTPN1PTPN6
SCHEMBL6938259 0.83 LTB4R (0.52) PPARGPPARDPPARALTB4R
SCHEMBL6933186 0.82 PPARG (0.48) PPARGPPARDPPARAPTPN1PTPN6
SCHEMBL6936087 0.74 PPARD (0.71) PPARGPPARDPPARAPTPN1PTPN6
SCHEMBL6936091 0.74 PPARD (0.71) PPARGPPARDPPARAPTPN1PTPN6
SCHEMBL6934303 0.74 THRA (0.47) PPARGPPARDPPARAPTPN11LTB4R
SCHEMBL6931405 0.73 PPARD (0.69) PPARGPPARDPPARAPTPN1PTPN6
SCHEMBL8440534 0.72 PPARD (0.59) PPARGPPARDPPARAPTPN1PTPN6
SCHEMBL7074267 0.72 PPARA (0.61) PPARGPPARDPPARALTB4RNR1H2
SCHEMBL6938370 0.70 PPARG (0.58) PPARGPPARDPPARALTB4R

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