SCHEMBL7990546

SCHEMBL7990546

C/C(=C\C(N)=O)c1ccc(OCc2c(F)cccc2F)c(OCCCO)c1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 9/20 0.57
LTB4R2 Q9NPC1 9/20 0.57
PDE4D Q08499 1/20 0.41
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMPD1 P17405 1/20 0.35
PTGER1 P34995 1/20 0.35
PRSS1 P07477 1/20 0.34

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
SCHEMBL7990552 1.00 LTB4R (0.57) LTB4RLTB4R2PDE4DMAPTMEN1
SCHEMBL7990555 1.00 LTB4R (0.57) LTB4RLTB4R2PDE4DMAPTMEN1
SCHEMBL7990747 0.89 LTB4R (0.56) LTB4RLTB4R2PDE4DMAPTMEN1
SCHEMBL7990750 0.89 LTB4R (0.56) LTB4RLTB4R2PDE4DMAPTMEN1
SCHEMBL7990752 0.89 LTB4R (0.56) LTB4RLTB4R2PDE4DMAPTMEN1
SCHEMBL7987688 0.81 LTB4R (0.47) LTB4RLTB4R2PDE4DMAPTMEN1
SCHEMBL7987682 0.81 LTB4R (0.47) LTB4RLTB4R2PDE4DMAPTMEN1
SCHEMBL7987685 0.81 LTB4R (0.47) LTB4RLTB4R2PDE4DMAPTMEN1
SCHEMBL7976808 0.75 LTB4R (0.82) LTB4RLTB4R2
SCHEMBL7990963 0.75 LTB4R (0.76) LTB4RLTB4R2

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