SCHEMBL6933186

SCHEMBL6933186

CCCc1cc(C(=O)c2ccc(Cl)cc2)ccc1OCCCSc1ccc(CC(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 15/20 0.48
PPARA Q07869 15/20 0.47
PPARD Q03181 14/20 0.47
LTB4R Q15722 1/20 0.46
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
PTPN11 Q06124 1/20 0.39

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
SCHEMBL6938259 0.92 LTB4R (0.52) PPARGPPARAPPARDLTB4R
SCHEMBL7074267 0.83 PPARA (0.61) PPARGPPARAPPARDLTB4RNR1H2
SCHEMBL6932996 0.82 PPARG (0.43) PPARGPPARAPPARDLTB4RNR1H2
SCHEMBL6933000 0.82 PPARG (0.43) PPARGPPARAPPARDLTB4RNR1H2
SCHEMBL6933187 0.81 PPARG (0.49) PPARGPPARAPPARDLTB4RNR1H2
SCHEMBL6934429 0.81 PPARA (0.58) PPARGPPARAPPARDLTB4RNR1H2
SCHEMBL6938370 0.79 PPARG (0.58) PPARGPPARAPPARDLTB4R
SCHEMBL6931405 0.77 PPARD (0.69) PPARGPPARAPPARDLTB4RNR1H2
SCHEMBL6933761 0.76 LTB4R (0.51) PPARGPPARAPPARDLTB4RNR1H2
SCHEMBL6939543 0.76 PPARG (0.58) PPARGPPARAPPARDLTB4RNR1H2

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