SCHEMBL7044586

SCHEMBL7044586

CCCc1cc2c(cc1OCCCNC1(Cl)C=CC=C(CC(=O)O)C1)ON(c1ccccc1)C2

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.32
PPARA Q07869 10/20 0.32
LTB4R Q15722 1/20 0.30
LTB4R2 Q9NPC1 1/20 0.30
PPARD Q03181 1/20 0.30

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
SCHEMBL6559384 0.79 PPARG (0.36) PPARGPPARALTB4RLTB4R2PPARD
SCHEMBL7044166 0.77 CETP (0.40) PPARGPPARALTB4RPPARD
SCHEMBL6559972 0.77 LTB4R (0.34) PPARGPPARALTB4RLTB4R2PPARD
SCHEMBL8444660 0.71 LTB4R (0.37) PPARGPPARALTB4RLTB4R2PPARD
SCHEMBL7044794 0.69 PPARA (0.40) PPARGPPARAPPARD
SCHEMBL6940262 0.65 PPARG (0.46) PPARGPPARAPPARD
SCHEMBL6938366 0.61 PPARG (0.50) PPARGPPARAPPARD
SCHEMBL2406964 0.54 PPARG (0.56) PPARGPPARALTB4RLTB4R2PPARD
SCHEMBL8081501 0.53 MEN1 (0.57) PPARGPPARALTB4RLTB4R2PPARD
SCHEMBL8080247 0.53 MEN1 (0.57) PPARGPPARALTB4RLTB4R2PPARD

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-0882029-B1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS MERCK & CO INC (US) 2003-04-02 EP claimed
US-6090836-A DIETETICS; ADJUSTMENT OF TRIGLYCERIDE CONCENTRATION MERCK & CO., INC. (US) 2000-07-18 US claimed
EP-0882029-A1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS Merck & Co., Inc. (US) 1998-12-09 EP claimed
WO-1997028137-A1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS MERCK & CO., INC. (US) 1997-08-07 WO claimed
EP-0882029-B1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS MERCK & CO INC (US) 2003-04-02 EP disclosed
US-6090836-A DIETETICS; ADJUSTMENT OF TRIGLYCERIDE CONCENTRATION MERCK & CO., INC. (US) 2000-07-18 US disclosed
EP-0882029-A1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS Merck & Co., Inc. (US) 1998-12-09 EP disclosed
WO-1997028137-A1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS MERCK & CO., INC. (US) 1997-08-07 WO disclosed