SCHEMBL6935701

SCHEMBL6935701

CCCc1cccc(Cc2nnnn2SCCCCOc2ccc(Oc3ccccc3)cc2CCC)c1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 19/20 0.44
PPARD Q03181 3/20 0.41
PPARA Q07869 10/20 0.40

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
SCHEMBL7046579 0.76 PPARA (0.57) PPARGPPARDPPARA
SCHEMBL6934241 0.72 PPARG (0.44) PPARGPPARDPPARA
SCHEMBL6934237 0.71 PPARG (0.42) PPARGPPARDPPARA
SCHEMBL22281385 0.71 PPARG (0.67) PPARGPPARDPPARA
SCHEMBL6559286 0.71 GRM2 (0.33) PPARGPPARDPPARA
SCHEMBL5212155 0.70 PPARG (0.56) PPARGPPARDPPARA
SCHEMBL2519763 0.69 PPARG (0.56) PPARGPPARDPPARA
SCHEMBL6933038 0.69 PPARD (0.61) PPARGPPARDPPARA
SCHEMBL5207075 0.67 PPARG (0.58) PPARGPPARDPPARA
SCHEMBL14621435 0.66 PPARG (0.48) 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