SCHEMBL8418922

SCHEMBL8418922

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

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 7/20 0.57
LTB4R2 Q9NPC1 7/20 0.57
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PPARD Q03181 3/20 0.40
DHODH Q02127 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTGER1 P34995 1/20 0.39
RAB9A P51151 1/20 0.38

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
SCHEMBL8564500 0.94 LTB4R (0.65) LTB4RLTB4R2MAPTMEN1ALDH1A1
SCHEMBL8418885 0.94 LTB4R (0.65) LTB4RLTB4R2MAPTMEN1ALDH1A1
SCHEMBL8418430 0.86 LTB4R (0.52) LTB4RLTB4R2MAPTMEN1ALDH1A1
SCHEMBL8565773 0.84 LTB4R (0.53) LTB4RLTB4R2MEN1ALDH1A1KMT2A
SCHEMBL4961192 0.82 LTB4R (0.49) LTB4RLTB4R2MAPTMEN1ALDH1A1
SCHEMBL8420802 0.81 LTB4R (0.46) LTB4RLTB4R2MAPTMEN1ALDH1A1
SCHEMBL8422344 0.81 LTB4R (0.53) LTB4RLTB4R2MAPTL3MBTL1PPARD
SCHEMBL8418898 0.81 LTB4R (0.65) LTB4RLTB4R2MAPTMEN1ALDH1A1
SCHEMBL7990788 0.80 LTB4R (0.88) LTB4RLTB4R2MAPT
SCHEMBL7990784 0.80 LTB4R (0.88) LTB4RLTB4R2MAPT

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