SCHEMBL8564500

SCHEMBL8564500

CCN(CC)C(=O)/C(C)=C\c1ccc(OCc2c(Cl)cccc2Cl)c(OCC(=O)O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 9/20 0.65
LTB4R2 Q9NPC1 9/20 0.65
ALDH1A1 P00352 4/20 0.46
POLB P06746 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
APP P05067 1/20 0.40
KDM4E B2RXH2 1/20 0.39
S1PR4 O95977 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
S1PR1 P21453 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GPR35 Q9HC97 1/20 0.39

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
SCHEMBL8418922 0.94 LTB4R (0.57) LTB4RLTB4R2ALDH1A1POLBMAPT
SCHEMBL8418885 0.88 LTB4R (0.65) LTB4RLTB4R2ALDH1A1POLBMAPT
SCHEMBL8418430 0.86 LTB4R (0.52) LTB4RLTB4R2ALDH1A1POLBMAPT
SCHEMBL8420802 0.85 LTB4R (0.46) LTB4RLTB4R2ALDH1A1POLBMAPT
SCHEMBL8418438 0.84 LTB4R (0.54) LTB4RLTB4R2ALDH1A1POLBMAPT
SCHEMBL8600595 0.83 LTB4R (0.46) LTB4RLTB4R2ALDH1A1POLBAPP
SCHEMBL8569978 0.82 LTB4R (0.52) LTB4RLTB4R2ALDH1A1POLBMAPT
SCHEMBL8420169 0.82 LTB4R (0.52) LTB4RLTB4R2ALDH1A1POLBMAPT
SCHEMBL8571699 0.82 LTB4R (0.52) LTB4RLTB4R2ALDH1A1POLBMAPT
SCHEMBL8422165 0.82 LTB4R (0.46) LTB4RLTB4R2ALDH1A1POLBMAPT

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