SCHEMBL6829303

SCHEMBL6829303

CCCCC(=O)Oc1c(NCCCc2cccc(OS(C)(=O)=O)c2)cccc1OCC

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.40
PPARG P37231 2/20 0.40
CYP2D6 P10635 5/20 0.39
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
KMT2A Q03164 1/20 0.37
KCNH2 Q12809 1/20 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
SCHEMBL6832055 0.92 MTNR1A (0.44) MTNR1AMTNR1B
SCHEMBL6829427 0.92 MTNR1A (0.43) PPARAPPARGCYP2D6MTNR1AMTNR1B
SCHEMBL6834536 0.91 STS (0.39) PPARAPPARGKMT2A
SCHEMBL6832979 0.83 STS (0.40)
SCHEMBL7069550 0.83 CA12 (0.40) PPARAPPARGKMT2A
SCHEMBL6829239 0.81 STS (0.38) PPARAPPARGKMT2A
SCHEMBL6832977 0.80 ENPP1 (0.44) KMT2A
SCHEMBL7115003 0.78 CA12 (0.38) PPARAPPARGKMT2A
SCHEMBL6832494 0.77 CA12 (0.41) PPARAPPARGKMT2A
Water SCHEMBL5161066 0.73 HTR1A (0.38) PPARAMTNR1AMTNR1BKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1453795-A2 ESTERS AND AMIDES AS PPAR-ALPHA AGONISTS Dr. Reddy's Laboratories Ltd. (IN) 2004-09-08 EP disclosed
WO-2003048116-A2 ESTERS AND AMIDES AS PPAR-ALPHA AGONISTS ____________ DR. REDDY'S LABORATORIES LTD. (IN) 2003-06-12 WO disclosed