SCHEMBL6559384

SCHEMBL6559384

CCCc1cc2cc(-c3ccccc3)oc2cc1OCCCNC1(Cl)C=CC=C(CC(=O)O)C1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.36
PPARD Q03181 3/20 0.36
PPARA Q07869 2/20 0.34
LTB4R Q15722 3/20 0.34
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
ABCB1 P08183 1/20 0.33
FFAR1 O14842 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
ACLY P53396 1/20 0.32
EGFR P00533 7/20 0.32

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
SCHEMBL7044166 0.87 CETP (0.40) PPARGPPARDPPARALTB4RKDM4E
SCHEMBL6559972 0.85 LTB4R (0.34) PPARGPPARDPPARALTB4RLTB4R2
SCHEMBL7044586 0.79 PPARG (0.32) PPARGPPARDPPARALTB4RLTB4R2
SCHEMBL6559176 0.75 PPARG (0.49) PPARGPPARDPPARALTB4RS1PR1
SCHEMBL7044794 0.74 PPARA (0.40) PPARGPPARDPPARA
SCHEMBL8444660 0.71 LTB4R (0.37) PPARGPPARDPPARALTB4RLTB4R2
SCHEMBL4055456 0.69 PPARG (0.42) PPARGPPARDPPARALTB4RLTB4R2
SCHEMBL5008859 0.68 PPARG (0.72) PPARGPPARDPPARA
SCHEMBL6940262 0.67 PPARG (0.46) PPARGPPARDPPARA
SCHEMBL4235423 0.65 PPARG (0.59) 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 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