SCHEMBL6601336

SCHEMBL6601336

CC(C)[C@H]1COC(=O)N1C(=O)[C@@H](C)CCCOCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IL6ST P40189 5/20 0.54
STAT3 P40763 1/20 0.41
IDH1 O75874 3/20 0.41
NAAA Q02083 2/20 0.40
GBA1 P04062 2/20 0.37
UGCG Q16739 2/20 0.37
GBA2 Q9HCG7 2/20 0.37
AGTR2 P50052 1/20 0.37
FAAH O00519 1/20 0.36
TEAD3 Q99594 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL2070699 1.00 IL6ST (0.54) IL6STSTAT3IDH1NAAAGBA1
SCHEMBL30984038 0.94 IL6ST (0.56) IL6STSTAT3IDH1NAAAAGTR2
SCHEMBL6597608 0.87 PPARA (0.47) IL6STIDH1NAAAGBA1UGCG
SCHEMBL8826143 0.86 IL6ST (0.59) IL6STSTAT3IDH1NAAAFAAH
SCHEMBL30984014 0.85 NAAA (0.51) IL6STSTAT3IDH1NAAAFAAH
SCHEMBL7794117 0.84 IL6ST (0.49) IL6STSTAT3IDH1NAAAGBA1
SCHEMBL6598726 0.84 NAAA (0.53) IL6STSTAT3IDH1NAAAGBA1
SCHEMBL2072708 0.84 NAAA (0.53) IL6STSTAT3IDH1NAAAGBA1
SCHEMBL13986788 0.84 PPARA (0.47) IL6STIDH1NAAAGBA1UGCG
SCHEMBL12937771 0.82 IL6ST (0.55) IL6STSTAT3IDH1GBA1GBA2

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-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
EP-1080082-A1 INTERMEDIATES FOR THE SYNTHESIS OF EPOTHILONES AND METHODS FOR THEIR PREPARATION Novartis AG (CH) 2001-03-07 EP disclosed
WO-1999059985-A1 INTERMEDIATES FOR THE SYNTHESIS OF EPOTHILONES AND METHODS FOR THEIR PREPARATION NOVARTIS AG (CH) 1999-11-25 WO disclosed