SCHEMBL8420510

SCHEMBL8420510

CCN(CC)C(=O)/C(C)=C\c1ccc(OCc2ccccc2C#N)c(OCC(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
LTB4R Q15722 8/20 0.49
LTB4R2 Q9NPC1 8/20 0.49
KDM4E B2RXH2 1/20 0.44
ALOX15 P16050 1/20 0.43
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
APP P05067 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.39
FFAR1 O14842 1/20 0.39
KLK7 P49862 1/20 0.39
KLK14 Q9P0G3 1/20 0.39
ST14 Q9Y5Y6 1/20 0.39

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
SCHEMBL8571699 0.87 LTB4R (0.52) ALDH1A1LTB4RLTB4R2KDM4EAPP
SCHEMBL8569978 0.87 LTB4R (0.52) ALDH1A1LTB4RLTB4R2KDM4EAPP
SCHEMBL8420169 0.87 LTB4R (0.52) ALDH1A1LTB4RLTB4R2KDM4EAPP
SCHEMBL7976412 0.80 LTB4R (0.75) LTB4RLTB4R2
SCHEMBL7976408 0.80 LTB4R (0.75) LTB4RLTB4R2
SCHEMBL7976417 0.80 LTB4R (0.75) LTB4RLTB4R2
SCHEMBL8422495 0.80 LTB4R (0.52) ALDH1A1LTB4RLTB4R2KDM4EAPP
SCHEMBL8418885 0.79 LTB4R (0.65) ALDH1A1LTB4RLTB4R2KDM4EAPP
SCHEMBL8564500 0.79 LTB4R (0.65) ALDH1A1LTB4RLTB4R2KDM4EAPP
SCHEMBL8418430 0.79 LTB4R (0.52) ALDH1A1LTB4RLTB4R2KDM4EAPP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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