SCHEMBL7762115

SCHEMBL7762115

CCCc1cc(CCC)c(C(OC(C)=O)C(=O)c2cc(C(C)C)[c]c(C(C)C)c2)c(CCC)c1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.34
PPARA Q07869 3/20 0.34
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 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
SCHEMBL6936875 0.87 ALDH1A1 (0.34) PPARGPPARAALDH1A1CYP3A4
SCHEMBL7207646 0.74 ALDH1A1 (0.38) PPARGALDH1A1CYP3A4
SCHEMBL2362135 0.65 CA5A (0.44) ALDH1A1
SCHEMBL5704708 0.65 PPARG (0.34) PPARGPPARA
SCHEMBL6942637 0.64 PPARG (0.33) PPARGPPARA
SCHEMBL18242176 0.62 PTPN1 (0.33) ALDH1A1CYP3A4
SCHEMBL5704698 0.61
SCHEMBL18242211 0.61 PTPN1 (0.32) ALDH1A1CYP3A4
SCHEMBL18242227 0.60 PTPN1 (0.31)
SCHEMBL18242068 0.60 PTPN1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP disclosed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO disclosed