SCHEMBL14819904

SCHEMBL14819904

COC(=O)Cc1ccc(Oc2cc3[nH]c(C)nc3cc2[N+](=O)[O-])c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.39
ENPP1 P22413 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
FOXO1 Q12778 1/20 0.36
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TTR P02766 1/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35
DUSP3 P51452 1/20 0.35
BLM P54132 1/20 0.35
PTPN5 P54829 1/20 0.35
PTPN11 Q06124 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PDGFRB P09619 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
SCHEMBL14819909 0.90 PPARD (0.40) GFERRAB9AMAPTNPC1GAA
SCHEMBL2004352 0.83 DCTPP1 (0.38) TDP1MAPTFOXO1ALDH1A1POLB
SCHEMBL2003157 0.79 MAOA (0.44) TDP1TTRALDH1A1
SCHEMBL2006768 0.77 PTGDR (0.53)
SCHEMBL2001572 0.77 ALDH1A1 (0.39) GFERFOXO1GAASMN1; SMN2ALDH1A1
SCHEMBL13816310 0.76 ALDH1A1 (0.48) TDP1RAB9AMAPTNPC1GAA
SCHEMBL2008340 0.75 DCTPP1 (0.35) TDP1MAPTGAASMN1; SMN2HPGD
SCHEMBL4992802 0.74 ALDH1A1 (0.52) GFERTDP1MAPTGAAHPGD
SCHEMBL2004566 0.73 CYP3A4 (0.39) MAPTHPGDALDH1A1
SCHEMBL7475985 0.72 GAA (0.49) GFERTDP1RAB9AMAPTGAA

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
EP-2164828-B1 COMPOUNDS AS CRTH2 AND/OR PGD2 RECEPTORS MODULATORS AND THEIR USE FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION AMGEN INC (US) 2013-03-27 EP disclosed