SCHEMBL6599302

SCHEMBL6599302

O=C(CCCCOCc1ccccc1)N1C(=O)OC[C@@H]1Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 7/20 0.52
EPHX2 P34913 2/20 0.43
PPARA Q07869 2/20 0.41
FAAH O00519 4/20 0.40
ALDH1A1 P00352 1/20 0.39
GBA1 P04062 2/20 0.39
UGCG Q16739 2/20 0.39
GBA2 Q9HCG7 2/20 0.39
PLA2G1B P04054 1/20 0.39
PLA2G2A P14555 1/20 0.39
TEAD3 Q99594 1/20 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
SCHEMBL14243651 1.00 NAAA (0.52) NAAAEPHX2PPARAFAAHALDH1A1
SCHEMBL14243652 1.00 NAAA (0.52) NAAAEPHX2PPARAFAAHALDH1A1
SCHEMBL8828113 0.99 NAAA (0.54) NAAAEPHX2PPARAFAAHALDH1A1
SCHEMBL2617344 0.97 NAAA (0.50) NAAAEPHX2PPARAFAAHALDH1A1
SCHEMBL14243737 0.97 NAAA (0.50) NAAAEPHX2PPARAFAAHALDH1A1
SCHEMBL17756150 0.97 NAAA (0.50) NAAAEPHX2PPARAFAAHALDH1A1
SCHEMBL4299854 0.92 NAAA (0.46) NAAAPPARAFAAHALDH1A1
SCHEMBL4299858 0.92 NAAA (0.46) NAAAPPARAFAAHALDH1A1
SCHEMBL19713409 0.92 NAAA (0.46) NAAAPPARAFAAHALDH1A1
SCHEMBL6598723 0.88 NAAA (0.52) NAAAEPHX2PPARAFAAHALDH1A1

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