SCHEMBL7041606

SCHEMBL7041606

CC(C)OC(=O)[C@@H](O)Cc1ccc(OCCCl)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.40
PPARD Q03181 4/20 0.40
PPARA Q07869 4/20 0.40
S1PR1 P21453 1/20 0.40
S1PR5 Q9H228 1/20 0.40
ACACB O00763 8/20 0.39
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MME P08473 1/20 0.38
ACE P12821 1/20 0.38

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
SCHEMBL7043136 1.00 PPARG (0.40) PPARGPPARDPPARAS1PR1S1PR5
SCHEMBL7041061 0.87 ADRB2 (0.43) PPARGPPARDPPARAACACBLMNA
SCHEMBL7039641 0.87 ADRB2 (0.43) PPARGPPARDPPARAACACBLMNA
SCHEMBL7041634 0.86 PPARG (0.50) PPARGPPARDPPARAACACB
SCHEMBL7042474 0.84 MEN1 (0.47) PPARGPPARDPPARALMNAL3MBTL1
SCHEMBL7038260 0.83 LMNA (0.48) S1PR1S1PR5ACACBLMNAL3MBTL1
SCHEMBL7035280 0.82 ACACB (0.43) PPARGPPARDPPARAACACB
SCHEMBL7038227 0.81 ACACB (0.48) PPARGPPARDPPARAACACB
SCHEMBL6738172 0.80 LTA4H (0.58) PPARGPPARDPPARALMNAL3MBTL1
SCHEMBL6738177 0.80 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 1 patent. 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 disclosed