SCHEMBL7035280

SCHEMBL7035280

COCOCCOc1ccc(CC(O)C(=O)OC(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACACB O00763 7/20 0.43
PPARG P37231 9/20 0.42
PPARD Q03181 6/20 0.42
PPARA Q07869 5/20 0.42
ASAH2 Q9NR71 2/20 0.37

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
SCHEMBL7038227 0.89 ACACB (0.48) ACACBPPARGPPARDPPARA
SCHEMBL7039192 0.86 ACACB (0.45) ACACBPPARGPPARDPPARA
SCHEMBL7039641 0.83 ADRB2 (0.43) ACACBPPARGPPARDPPARA
SCHEMBL7041061 0.83 ADRB2 (0.43) ACACBPPARGPPARDPPARA
SCHEMBL7041606 0.82 PPARG (0.40) ACACBPPARGPPARDPPARA
SCHEMBL7043136 0.82 PPARG (0.40) ACACBPPARGPPARDPPARA
SCHEMBL8953664 0.78 PPARA (0.49) ACACBPPARGPPARDPPARA
SCHEMBL7035730 0.77 ACACB (0.48) ACACBPPARGPPARDPPARA
SCHEMBL6738177 0.75 LTA4H (0.58) PPARGPPARDPPARA
SCHEMBL6738172 0.75 LTA4H (0.58) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003002508-A1 DERIVATIVES OF PARA-ETHOXY-PHENILLACTIC ACID DR. REDDY'S RESEARCH FOUNDATION (IN) 2003-01-09 WO claimed
WO-2003002508-A1 DERIVATIVES OF PARA-ETHOXY-PHENILLACTIC ACID DR. REDDY'S RESEARCH FOUNDATION (IN) 2003-01-09 WO disclosed