SCHEMBL7976117

SCHEMBL7976117

CC(=O)c1ccc(OCc2c(F)cccc2F)c(OCC(=O)O)c1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 6/20 0.69
LTB4R2 Q9NPC1 6/20 0.69
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.44
PTGDR2 Q9Y5Y4 2/20 0.42
FFAR1 O14842 4/20 0.42
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GLA P06280 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAOB P27338 1/20 0.41
PPARD Q03181 1/20 0.41

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
SCHEMBL6239905 0.86 KMT2A (0.52) LTB4RLTB4R2KMT2AMEN1POLB
SCHEMBL8637573 0.84 KMT2A (0.60) LTB4RLTB4R2KMT2AMEN1PTGDR2
SCHEMBL4105271 0.82 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL4105270 0.82 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL4105264 0.82 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL7987092 0.82 LTB4R (0.47) LTB4RLTB4R2KMT2AMEN1MRGPRX4
SCHEMBL7994027 0.82 LTB4R (0.66) LTB4RLTB4R2KMT2AMEN1MAPT
SCHEMBL7987656 0.82 LTB4R (0.66) LTB4RLTB4R2KMT2AMEN1MAPT
SCHEMBL8418869 0.81 LTB4R (0.66) LTB4RLTB4R2KMT2AMEN1MAPT
SCHEMBL5533467 0.80 FFAR1 (0.52) KMT2AMEN1MAPTPTGDR2FFAR1

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 4 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
WO-2001009125-A1 NOVEL 8-CARBONYL CHROMAN DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF AVENTIS PHARMA S.A. (FR) 2001-02-08 WO 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