SCHEMBL4728796

SCHEMBL4728796

COc1ccc(C(C)CN(Cc2ccccc2)C(CO)c2ccc(OCc3ccccc3)c(N)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.39
C5AR1 P21730 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.38
ALDH1A1 P00352 1/20 0.37
ABCB1 P08183 1/20 0.36
ALOX5 P09917 1/20 0.36
TSHR P16473 1/20 0.36
BCHE P06276 1/20 0.36
NPC1 O15118 2/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
EPOR P19235 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RAB9A P51151 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
SCHEMBL7611109 0.92 AOC3 (0.40) AOC3C5AR1ALDH1A1ABCB1TSHR
SCHEMBL7610365 0.92 AOC3 (0.40) AOC3C5AR1ALDH1A1ABCB1TSHR
SCHEMBL7610616 0.87 ALDH1A1 (0.43) AOC3C5AR1TRPM8ALDH1A1ABCB1
SCHEMBL4728111 0.85 KMT2A (0.43) ALDH1A1ABCB1NPC1POLBMEN1
SCHEMBL7608227 0.85 PTGS1 (0.40) ALOX5BCHEEPORMAPTRAB9A
SCHEMBL7611069 0.83 MEN1 (0.37) TRPM8ALDH1A1BCHENPC1POLB
SCHEMBL7606237 0.80 NPC1 (0.39) ALDH1A1NPC1MAPTRAB9A
SCHEMBL7608457 0.80 BCHE (0.41) ALOX5BCHEEPORMAPTRAB9A
SCHEMBL7606579 0.80 NR1H3 (0.43) AOC3C5AR1ALDH1A1ALOX5TSHR
SCHEMBL719264 0.79 ALDH1A1 (0.41) AOC3TRPM8ALDH1A1ABCB1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008035380-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF HIGH PURITY FORMOTEROL AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS NATCO PHARMA LIMITED (IN) 2008-03-27 WO disclosed