SCHEMBL7986709

SCHEMBL7986709

C[C@@H](Oc1cc(Br)ccc1CC(=O)O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 6/20 0.48
LTB4R2 Q9NPC1 6/20 0.48
LRRK2 Q5S007 1/20 0.47
FFAR1 O14842 1/20 0.43
RORC P51449 2/20 0.42
CAMK2A Q9UQM7 1/20 0.42
CFD P00746 2/20 0.41
F11 P03951 2/20 0.41
TPSB2 P20231 2/20 0.41
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL7986710 1.00 LTB4R (0.48) LTB4RLTB4R2LRRK2FFAR1RORC
SCHEMBL4565149 0.83 LTB4R (0.54) LTB4RLTB4R2FFAR1RORCCAMK2A
SCHEMBL4565147 0.83 LTB4R (0.54) LTB4RLTB4R2FFAR1RORCCAMK2A
SCHEMBL29737932 0.79 PTGDR2 (0.41) CAMK2AL3MBTL1POLBMEN1KMT2A
SCHEMBL20562760 0.79 PTGDR2 (0.41) CAMK2AL3MBTL1POLBMEN1KMT2A
SCHEMBL29383625 0.76 HSD17B10 (0.54) MEN1ALDH1A1KMT2ASMN1; SMN2NPSR1
SCHEMBL426773 0.76 HSD17B10 (0.54) MEN1ALDH1A1KMT2ASMN1; SMN2NPSR1
SCHEMBL25931866 0.75 PTGDR2 (0.38) CAMK2APOLBMEN1ALDH1A1KMT2A
SCHEMBL29844957 0.74 THRB (0.47) CAMK2ALMNAL3MBTL1KMT2ASMN1; SMN2
SCHEMBL16898291 0.74 THRB (0.47) CAMK2ALMNAL3MBTL1KMT2ASMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6291530-B1 Aryl-substituted acrylamides with Leukotriene B4 (LTB-4) receptor antagonist activity NOVARTIS AG (CH) 2001-09-18 US disclosed
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