SCHEMBL7988629

SCHEMBL7988629

CCN(CC)C(=O)/C=C(\C)c1cc(OCC(=O)O)cc(OCc2ccccc2Cl)c1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 17/20 0.73
LTB4R2 Q9NPC1 17/20 0.73
NR4A2 P43354 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46

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
SCHEMBL7988639 1.00 LTB4R (0.73) LTB4RLTB4R2NR4A2NPC1RAB9A
SCHEMBL7988633 1.00 LTB4R (0.73) LTB4RLTB4R2NR4A2NPC1RAB9A
SCHEMBL7990405 0.88 LTB4R (0.73) LTB4RLTB4R2MAOB
SCHEMBL7990401 0.88 LTB4R (0.73) LTB4RLTB4R2MAOB
SCHEMBL7990403 0.88 LTB4R (0.73) LTB4RLTB4R2MAOB
SCHEMBL7990284 0.86 LTB4R (0.71) LTB4RLTB4R2MAOB
SCHEMBL7990289 0.86 LTB4R (0.71) LTB4RLTB4R2MAOB
SCHEMBL7989763 0.86 LTB4R (0.71) LTB4RLTB4R2MAOB
SCHEMBL7990179 0.84 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL7990177 0.84 LTB4R (1.00) 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