SCHEMBL6559972

SCHEMBL6559972

CCCc1cc2cc(-c3ccccc3)sc2cc1OCCCNC1(Cl)C=CC=C(CC(=O)O)C1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 6/20 0.34
LTB4R2 Q9NPC1 6/20 0.34
PPARD Q03181 7/20 0.32
PPARA Q07869 7/20 0.32
PPARG P37231 7/20 0.32
PTPN11 Q06124 1/20 0.31
STING1 Q86WV6 1/20 0.31

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 0.85 PPARG (0.36) LTB4RLTB4R2PPARDPPARAPPARG
SCHEMBL7044166 0.81 CETP (0.40) LTB4RPPARDPPARAPPARG
SCHEMBL7044586 0.77 PPARG (0.32) LTB4RLTB4R2PPARDPPARAPPARG
SCHEMBL7044794 0.73 PPARA (0.40) PPARDPPARAPPARG
SCHEMBL8444660 0.72 LTB4R (0.37) LTB4RLTB4R2PPARDPPARAPPARG
SCHEMBL6940262 0.66 PPARG (0.46) PPARDPPARAPPARG
SCHEMBL6938366 0.62 PPARG (0.50) PPARDPPARAPPARG
SCHEMBL6559176 0.61 PPARG (0.49) LTB4RLTB4R2PPARDPPARAPPARG
SCHEMBL11031713 0.55 SUCNR1 (0.40)
SCHEMBL2406964 0.55 PPARG (0.56) LTB4RLTB4R2PPARDPPARAPPARG

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0904079-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2004-03-24 EP claimed
EP-0904079-A4 1999-05-06 EP claimed
EP-0904079-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-03-31 EP claimed
WO-1997027857-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 WO claimed
EP-0904079-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2004-03-24 EP disclosed
EP-0904079-A4 1999-05-06 EP disclosed
EP-0904079-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-03-31 EP disclosed
US-5859051-A ACETYLPHENOL DERIVATIVES MERCK & CO., INC. (US) 1999-01-12 US disclosed
WO-1997027857-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 WO disclosed