SCHEMBL7987682

SCHEMBL7987682

C/C(=C\C(N)=O)c1ccc(OCc2c(F)cccc2F)c(OCCCOC2CCCCO2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 5/20 0.47
LTB4R2 Q9NPC1 5/20 0.47
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CREBBP Q92793 1/20 0.36
PDE4B Q07343 2/20 0.35
PDE4D Q08499 3/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PTPN1 P18031 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4C Q08493 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
ACHE P22303 1/20 0.32

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
SCHEMBL7987685 1.00 LTB4R (0.47) LTB4RLTB4R2MEN1KMT2ACREBBP
SCHEMBL7987688 1.00 LTB4R (0.47) LTB4RLTB4R2MEN1KMT2ACREBBP
SCHEMBL7990568 0.89 KMT2A (0.47) LTB4RLTB4R2MEN1KMT2ACREBBP
SCHEMBL7990555 0.81 LTB4R (0.57) LTB4RLTB4R2MEN1KMT2APDE4D
SCHEMBL7990552 0.81 LTB4R (0.57) LTB4RLTB4R2MEN1KMT2APDE4D
SCHEMBL7990546 0.81 LTB4R (0.57) LTB4RLTB4R2MEN1KMT2APDE4D
SCHEMBL7990747 0.78 LTB4R (0.56) LTB4RLTB4R2MEN1KMT2APDE4D
SCHEMBL7990752 0.78 LTB4R (0.56) LTB4RLTB4R2MEN1KMT2APDE4D
SCHEMBL7990750 0.78 LTB4R (0.56) LTB4RLTB4R2MEN1KMT2APDE4D
SCHEMBL15595694 0.72 MEN1 (0.65) MEN1KMT2ACREBBPPDE4B

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