SCHEMBL6938259

SCHEMBL6938259

CCCc1cc(C(=O)c2ccccc2)ccc1OCCCSc1ccc(CC(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.52
PPARA Q07869 14/20 0.49
PPARG P37231 14/20 0.49
PPARD Q03181 10/20 0.49
ELANE P08246 2/20 0.43
SRD5A2 P31213 1/20 0.41

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
SCHEMBL6933186 0.92 PPARG (0.48) LTB4RPPARAPPARGPPARD
SCHEMBL7074267 0.87 PPARA (0.61) LTB4RPPARAPPARGPPARD
SCHEMBL6938370 0.87 PPARG (0.58) LTB4RPPARAPPARGPPARDSRD5A2
SCHEMBL6934429 0.84 PPARA (0.58) LTB4RPPARAPPARGPPARD
SCHEMBL6932996 0.83 PPARG (0.43) LTB4RPPARAPPARGPPARD
SCHEMBL6933000 0.83 PPARG (0.43) LTB4RPPARAPPARGPPARD
SCHEMBL6933761 0.83 LTB4R (0.51) LTB4RPPARAPPARGPPARDELANE
SCHEMBL6935714 0.81 PPARG (0.61) LTB4RPPARAPPARGPPARD
SCHEMBL6934303 0.80 THRA (0.47) LTB4RPPARAPPARGPPARD
SCHEMBL6939543 0.77 PPARG (0.58) LTB4RPPARAPPARGPPARDSRD5A2

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