SCHEMBL28044746

SCHEMBL28044746

CC(C)(C)C(=O)ON1CCC(c2ccc(C(=O)OCc3ccccc3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
KMT2A Q03164 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A3 Q01959 1/20 0.48
MAPT P10636 3/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
GPR119 Q8TDV5 1/20 0.45
BCHE P06276 2/20 0.43
CCR1 P32246 1/20 0.43
CHRNB2 P17787 2/20 0.43
CHRNA7 P36544 2/20 0.43
CHRNA4 P43681 2/20 0.43
CHRNA5 P30532 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
THRB P10828 1/20 0.41
PDE4B Q07343 1/20 0.41

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
SCHEMBL28011843 0.85 FDFT1 (0.51) LMNATDP1MAPTALDH1A1HPGD
SCHEMBL17366247 0.83 GPR119 (0.61) LMNAGPR119CCR1GAARAB9A
SCHEMBL27488566 0.82 RIPK1 (0.51) ALDH1A1L3MBTL1SLC18A3
SCHEMBL17360240 0.81 KMT2A (0.55) LMNAKMT2ATDP1SLC6A2SLC6A3
SCHEMBL27812545 0.81 HSD17B10 (0.45) TDP1MAPTALDH1A1HPGDGAA
SCHEMBL28174922 0.80 TDP1 (0.50) LMNAKMT2ATDP1SLC6A2SLC6A3
SCHEMBL29198620 0.78 KMT2A (0.46) LMNAKMT2ATDP1SLC6A2SLC6A3
SCHEMBL29098516 0.78 BCHE (0.43) LMNAGPR119BCHECCR1SLC18A3
SCHEMBL27622593 0.77 NAMPT (0.40) LMNAMAPTALDH1A1CCR1CYP3A4
SCHEMBL28059915 0.77 CYP2C9 (0.51) LMNAMAPTALDH1A1GPR119

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
CN-105073730-A monocyclic pyridine derivatives WEI CAIR 2015-11-18 CN disclosed