SCHEMBL6597608

SCHEMBL6597608

C[C@@H](CCCOCc1ccccc1)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.47
IL6ST P40189 1/20 0.40
FAAH O00519 1/20 0.39
NAAA Q02083 2/20 0.39
IDH1 O75874 5/20 0.38
ALDH1A1 P00352 1/20 0.36
GBA1 P04062 2/20 0.36
UGCG Q16739 2/20 0.36
GBA2 Q9HCG7 2/20 0.36
AGTR2 P50052 1/20 0.36
TEAD3 Q99594 1/20 0.35

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
SCHEMBL13986788 0.97 PPARA (0.47) PPARAIL6STFAAHNAAAIDH1
SCHEMBL20695126 0.94 PPARA (0.47) PPARAIL6STFAAHNAAAIDH1
SCHEMBL20695124 0.94 PPARA (0.47) PPARAIL6STFAAHNAAAIDH1
SCHEMBL19423252 0.94 PPARA (0.47) PPARAIL6STFAAHNAAAIDH1
SCHEMBL19423219 0.94 PPARA (0.47) PPARAIL6STFAAHNAAAIDH1
SCHEMBL20695123 0.94 PPARA (0.47) PPARAIL6STFAAHNAAAIDH1
SCHEMBL13986870 0.88 PPARA (0.52) PPARAIL6STFAAHNAAAIDH1
SCHEMBL2070699 0.87 IL6ST (0.54) PPARAIL6STFAAHNAAAIDH1
SCHEMBL6601336 0.87 IL6ST (0.54) PPARAIL6STFAAHNAAAIDH1
SCHEMBL15587060 0.86 PPARA (0.51) PPARAIL6STFAAHNAAAIDH1

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
EP-1080082-B1 INTERMEDIATES FOR THE SYNTHESIS OF EPOTHILONES AND METHODS FOR THEIR PREPARATION NOVARTIS AG (CH) 2004-10-06 EP disclosed
US-6350878-B1 BASIFICATION AND IODINATION OF ALDEHYDE NOVARTIS AG (CH) 2002-02-26 US disclosed