SCHEMBL7976206

SCHEMBL7976206

CC(=O)c1ccc(CCc2ccccc2)c(OCC(=O)O)c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.67
LTB4R2 Q9NPC1 3/20 0.67
L3MBTL1 Q9Y468 2/20 0.47
TSHR P16473 1/20 0.46
MAOB P27338 2/20 0.45
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GLA P06280 1/20 0.44
KMT2A Q03164 2/20 0.44
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
PLA2G4A P47712 1/20 0.43
ELANE P08246 4/20 0.42
F2 P00734 2/20 0.42
ALDH1A1 P00352 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42

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
SCHEMBL7988234 0.81 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL7988237 0.81 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL7988242 0.81 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL7994027 0.80 LTB4R (0.66) LTB4RLTB4R2MAOBPOLBSMN1; SMN2
SCHEMBL7987656 0.80 LTB4R (0.66) LTB4RLTB4R2MAOBPOLBSMN1; SMN2
SCHEMBL5007118 0.79 HTR1A (0.64) LTB4RLTB4R2L3MBTL1POLBSMN1; SMN2
SCHEMBL8637573 0.78 KMT2A (0.60) LTB4RLTB4R2L3MBTL1TSHRPOLB
SCHEMBL8408039 0.77 PKM (0.60) MAOBPOLBKMT2AHSD17B10LMNA
SCHEMBL13098020 0.77 LMNA (0.53) L3MBTL1KMT2ALMNA
SCHEMBL7990328 0.75 KMT2A (0.50) L3MBTL1POLBSMN1; SMN2GLAKMT2A

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