SCHEMBL4073441

SCHEMBL4073441

COC(Cc1ccc(NCCCc2cccc(OS(C)(=O)=O)c2)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.45
PPARA Q07869 9/20 0.45
PPARD Q03181 3/20 0.44
MTNR1A P48039 3/20 0.44
MTNR1B P49286 3/20 0.44
FFAR1 O14842 2/20 0.43
FAAH O00519 1/20 0.40
HIF1A Q16665 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
SCHEMBL4084583 1.00 PPARG (0.45) PPARGPPARAPPARDMTNR1AMTNR1B
SCHEMBL4074513 0.91 PPARA (0.56) PPARGPPARAPPARDFFAR1
SCHEMBL4795129 0.90 MTNR1A (0.43) PPARGPPARAMTNR1AMTNR1BFFAR1
SCHEMBL4073135 0.90 MTNR1A (0.43) PPARGPPARAMTNR1AMTNR1BFFAR1
SCHEMBL4074518 0.89 PPARA (0.53) PPARGPPARAPPARDFFAR1
SCHEMBL4075619 0.89 PPARA (0.53) PPARGPPARAPPARDFFAR1
Water SCHEMBL5158847 0.88 PPARA (0.53) PPARGPPARAPPARDFFAR1
SCHEMBL13656062 0.88 SLC2A1 (0.43) MTNR1AMTNR1BFFAR1FAAHHIF1A
Arginine SCHEMBL4073126 0.87 MTNR1A (0.38) PPARGPPARAPPARDMTNR1AMTNR1B
Arginine SCHEMBL4085067 0.87 MTNR1A (0.38) PPARGPPARAPPARDMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598293-B2 Compounds and their use in medicine, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES, INC. (US) 2009-10-06 US claimed
EP-1453795-A2 ESTERS AND AMIDES AS PPAR-ALPHA AGONISTS Dr. Reddy's Laboratories Ltd. (IN) 2004-09-08 EP claimed
WO-2003048116-A2 ESTERS AND AMIDES AS PPAR-ALPHA AGONISTS ____________ DR. REDDY'S LABORATORIES LTD. (IN) 2003-06-12 WO claimed