SCHEMBL6598726

SCHEMBL6598726

CC(C)C1COC(=O)N1C(=O)CCCCOCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 8/20 0.53
IL6ST P40189 5/20 0.50
STAT3 P40763 1/20 0.42
EPHX2 P34913 1/20 0.42
IDH1 O75874 2/20 0.40
FAAH O00519 4/20 0.38
GBA1 P04062 2/20 0.38
UGCG Q16739 2/20 0.38
GBA2 Q9HCG7 2/20 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
SCHEMBL2072708 1.00 NAAA (0.53) NAAAIL6STSTAT3EPHX2IDH1
SCHEMBL30984014 0.97 NAAA (0.51) NAAAIL6STSTAT3EPHX2IDH1
SCHEMBL7359514 0.87 IL6ST (0.55) NAAAIL6STSTAT3IDH1FAAH
SCHEMBL7359508 0.87 IL6ST (0.55) NAAAIL6STSTAT3IDH1FAAH
SCHEMBL8219226 0.84 NAAA (0.65) NAAAIL6STSTAT3FAAH
SCHEMBL8219228 0.84 NAAA (0.65) NAAAIL6STSTAT3FAAH
SCHEMBL2070699 0.84 IL6ST (0.54) NAAAIL6STSTAT3IDH1FAAH
SCHEMBL6601336 0.84 IL6ST (0.54) NAAAIL6STSTAT3IDH1FAAH
SCHEMBL14243651 0.83 NAAA (0.52) NAAAEPHX2FAAHGBA1UGCG
SCHEMBL6599302 0.83 NAAA (0.52) NAAAEPHX2FAAHGBA1UGCG

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