SCHEMBL8422165

SCHEMBL8422165

CCN(CC)C(=O)/C(C)=C\c1ccc(OCc2ccco2)c(OCC(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 8/20 0.46
LTB4R2 Q9NPC1 8/20 0.46
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 2/20 0.40
APP P05067 1/20 0.39
POLB P06746 3/20 0.39
TNFRSF1A P19438 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 2/20 0.38
TRPM8 Q7Z2W7 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 1/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL8571699 0.83 LTB4R (0.52) LTB4RLTB4R2ALDH1A1KDM4EAPP
SCHEMBL8600595 0.83 LTB4R (0.46) LTB4RLTB4R2ALDH1A1KDM4EAPP
SCHEMBL8418885 0.82 LTB4R (0.65) LTB4RLTB4R2ALDH1A1KDM4EAPP
SCHEMBL8564500 0.82 LTB4R (0.65) LTB4RLTB4R2ALDH1A1KDM4EAPP
SCHEMBL8420169 0.82 LTB4R (0.52) LTB4RLTB4R2ALDH1A1KDM4EAPP
SCHEMBL8569978 0.82 LTB4R (0.52) LTB4RLTB4R2ALDH1A1KDM4EAPP
SCHEMBL8418931 0.81 LTB4R (0.50) LTB4RLTB4R2ALDH1A1KDM4EAPP
SCHEMBL8573087 0.81 LTB4R (0.50) LTB4RLTB4R2ALDH1A1KDM4EAPP
SCHEMBL8418430 0.81 LTB4R (0.52) LTB4RLTB4R2ALDH1A1KDM4EAPP
SCHEMBL8420802 0.80 LTB4R (0.46) LTB4RLTB4R2ALDH1A1KDM4EAPP

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-0942903-A1 ARYL-SUBSTITUTED ACRYLAMIDES WITH LEUKOTRIENE B4 (LTB-4) RECEPTOR ANTAGONIST ACTIVITY Novartis AG (CH) 1999-09-22 EP disclosed
WO-1998013347-A1 ARYL-SUBSTITUTED ACRYLAMIDES WITH LEUKOTRIENE B4 (LTB-4) RECEPTOR ANTAGONIST ACTIVITY NOVARTIS AG (CH) 1998-04-02 WO disclosed