SCHEMBL7039641

SCHEMBL7039641

CC(C)OC(=O)C(O)Cc1ccc(OCCO)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
PPARG P37231 3/20 0.41
PPARD Q03181 3/20 0.41
PPARA Q07869 3/20 0.41
GAA P10253 1/20 0.41
ACACB O00763 5/20 0.41
MAPT P10636 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
NR1I2 O75469 1/20 0.40
PTGS2 P35354 1/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL7041061 1.00 ADRB2 (0.43) ADRB2ADRB1ADRB3PPARGPPARD
SCHEMBL7043136 0.87 PPARG (0.40) PPARGPPARDPPARAACACBLMNA
SCHEMBL7041606 0.87 PPARG (0.40) PPARGPPARDPPARAACACBLMNA
SCHEMBL7041092 0.85 PPARG (0.51) ADRB2ADRB1ADRB3PPARGPPARD
SCHEMBL7041549 0.84 MEN1 (0.48) PPARGPPARDPPARAGAAACACB
SCHEMBL7039162 0.83 LMNA (0.49) PPARGPPARDPPARAACACBNR1I2
SCHEMBL7035280 0.83 ACACB (0.43) PPARGPPARDPPARAACACB
SCHEMBL7038227 0.82 ACACB (0.48) PPARGPPARDPPARAACACB
SCHEMBL6738172 0.81 LTA4H (0.58) PPARGPPARDPPARALMNAL3MBTL1
SCHEMBL6738177 0.81 LTA4H (0.58) PPARGPPARDPPARALMNAL3MBTL1

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