SCHEMBL4728111

SCHEMBL4728111

COc1ccc(C(C)CN(Cc2ccccc2)C(CO)c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 1/20 0.43
ABCB1 P08183 1/20 0.42
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
CTSV O60911 4/20 0.41
CTSL P07711 4/20 0.41
POLB P06746 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
FFAR1 O14842 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 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
SCHEMBL7605019 0.89 MAPT (0.43) KMT2AMAPTALDH1A1MEN1HPGD
SCHEMBL7604662 0.87 MEN1 (0.44) KMT2AMAPTMEN1ABCB1LMNA
SCHEMBL7607653 0.85 CTSV (0.44) KMT2AMAPTMEN1ABCB1CTSV
SCHEMBL7606585 0.85 CTSV (0.44) KMT2AMAPTMEN1ABCB1CTSV
SCHEMBL7606895 0.85 ABCB1 (0.44) KMT2AMAPTALDH1A1MEN1ABCB1
SCHEMBL28923195 0.84 KMT2A (0.42) KMT2AMAPTALDH1A1MEN1HPGD
SCHEMBL7605326 0.83 CTSV (0.42) KMT2AMAPTMEN1ABCB1CTSV
SCHEMBL7609875 0.82 PRKCA (0.41) KMT2AMAPTALDH1A1MEN1HPGD
SCHEMBL7608191 0.82 FFAR1 (0.43) MAPTHTTABCB1SMN1; SMN2TP53
SCHEMBL7036429 0.81 KMT2A (0.41) KMT2AMAPTALDH1A1MEN1HPGD

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