SCHEMBL8420802

SCHEMBL8420802

CCN(CC)C(=O)/C(C)=C\c1ccc(OCc2c(C)cc(C)cc2C)c(OCC(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 8/20 0.46
LTB4R2 Q9NPC1 8/20 0.46
ALDH1A1 P00352 5/20 0.40
POLB P06746 3/20 0.40
APP P05067 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL8418430 0.87 LTB4R (0.52) LTB4RLTB4R2ALDH1A1POLBAPP
SCHEMBL8418885 0.85 LTB4R (0.65) LTB4RLTB4R2ALDH1A1POLBAPP
SCHEMBL8564500 0.85 LTB4R (0.65) LTB4RLTB4R2ALDH1A1POLBAPP
SCHEMBL8571699 0.85 LTB4R (0.52) LTB4RLTB4R2ALDH1A1POLBAPP
SCHEMBL8418922 0.81 LTB4R (0.57) LTB4RLTB4R2ALDH1A1POLBMAPT
SCHEMBL8569978 0.81 LTB4R (0.52) LTB4RLTB4R2ALDH1A1POLBAPP
SCHEMBL8420169 0.81 LTB4R (0.52) LTB4RLTB4R2ALDH1A1POLBAPP
SCHEMBL8422165 0.80 LTB4R (0.46) LTB4RLTB4R2ALDH1A1POLBAPP
SCHEMBL8422442 0.80 LTB4R (0.48) LTB4RLTB4R2ALDH1A1POLBAPP
SCHEMBL8600595 0.80 LTB4R (0.46) LTB4RLTB4R2ALDH1A1POLBAPP

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