SCHEMBL7990568

SCHEMBL7990568

CC(=O)c1ccc(OCc2c(F)cccc2F)c(OCCCOC2CCCCO2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
CREBBP Q92793 1/20 0.44
LTB4R Q15722 2/20 0.41
LTB4R2 Q9NPC1 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PDE4B Q07343 1/20 0.37
ABCB11 O95342 1/20 0.36
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD2 P14416 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
ACHE P22303 1/20 0.36
SLC6A2 P23975 1/20 0.36

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
SCHEMBL7987688 0.89 LTB4R (0.47) KMT2AMEN1CREBBPLTB4RLTB4R2
SCHEMBL7987685 0.89 LTB4R (0.47) KMT2AMEN1CREBBPLTB4RLTB4R2
SCHEMBL7987682 0.89 LTB4R (0.47) KMT2AMEN1CREBBPLTB4RLTB4R2
SCHEMBL15595694 0.76 MEN1 (0.65) KMT2AMEN1CREBBPPDE4B
SCHEMBL15595695 0.75 MEN1 (0.54) KMT2AMEN1RAB9APDE4BMAPT
SCHEMBL23872964 0.74 MEN1 (0.50) KMT2AMEN1CREBBPNPC1RAB9A
SCHEMBL19504405 0.74 MEN1 (0.68) KMT2AMEN1CREBBPPDE4B
SCHEMBL6239905 0.73 KMT2A (0.52) KMT2AMEN1LTB4RLTB4R2NPC1
SCHEMBL19504400 0.73 MEN1 (0.56) KMT2AMEN1RAB9APDE4BMAPT
SCHEMBL7976117 0.72 LTB4R (0.69) KMT2AMEN1LTB4RLTB4R2MAPT

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