SCHEMBL6938370

SCHEMBL6938370

CCCc1cc(C(=O)c2ccccc2)ccc1OCCCOc1ccc(CC(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.58
PPARA Q07869 11/20 0.58
PPARD Q03181 11/20 0.58
LTB4R Q15722 3/20 0.54
FOS P01100 1/20 0.49
JUN P05412 1/20 0.49
SRD5A2 P31213 1/20 0.49
LTB4R2 Q9NPC1 2/20 0.48

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
SCHEMBL6936861 0.89 PPARA (0.59) PPARGPPARAPPARDLTB4RFOS
SCHEMBL6935714 0.88 PPARG (0.61) PPARGPPARAPPARDLTB4RFOS
SCHEMBL6936456 0.88 PPARG (0.49) PPARGPPARAPPARDLTB4RLTB4R2
SCHEMBL6938259 0.87 LTB4R (0.52) PPARGPPARAPPARDLTB4RSRD5A2
SCHEMBL6933761 0.86 LTB4R (0.51) PPARGPPARAPPARDLTB4RSRD5A2
SCHEMBL6936579 0.85 PPARG (0.63) PPARGPPARAPPARD
SCHEMBL6934325 0.81 PPARG (0.59) PPARGPPARAPPARDLTB4RFOS
SCHEMBL7074267 0.80 PPARA (0.61) PPARGPPARAPPARDLTB4RLTB4R2
SCHEMBL6938382 0.80 PPARG (0.64) PPARGPPARAPPARDLTB4RFOS
SCHEMBL6934429 0.79 PPARA (0.58) PPARGPPARAPPARDLTB4RLTB4R2

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