SCHEMBL6934241

SCHEMBL6934241

CCCc1cc(Oc2ccccc2)ccc1OCCCCSc1ccc(Cc2nnn[nH]2)cc1CCC

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 18/20 0.44
PPARA Q07869 7/20 0.41
PPARD Q03181 3/20 0.39
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL6934237 0.79 PPARG (0.42) PPARGPPARAPPARDLMNAMAPT
SCHEMBL6559269 0.79 PPARG (0.56) PPARGPPARAPPARD
SCHEMBL6934021 0.78 PPARG (0.42) PPARGPPARAPPARD
SCHEMBL7044940 0.78 PPARA (0.58) PPARGPPARAPPARD
SCHEMBL6938569 0.77 PPARD (0.51) PPARGPPARAPPARD
SCHEMBL6933839 0.72 PPARG (0.49) PPARGPPARAPPARD
SCHEMBL6559361 0.72 PPARG (0.51) PPARGPPARAPPARD
SCHEMBL6935701 0.72 PPARG (0.44) PPARGPPARAPPARD
SCHEMBL8443232 0.71 PPARG (0.46) PPARGPPARAPPARD
SCHEMBL6559281 0.70 PPARG (0.43) PPARGPPARAPPARD

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