SCHEMBL7990836

SCHEMBL7990836

CC(=CC(=O)Cl)c1ccc(OC(C)c2ccccc2)c(C(=O)O)c1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 17/20 0.71
LTB4R2 Q9NPC1 17/20 0.71
RORC P51449 2/20 0.46
LRRK2 Q5S007 1/20 0.41

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
SCHEMBL7990834 1.00 LTB4R (0.71) LTB4RLTB4R2RORCLRRK2
SCHEMBL7990835 1.00 LTB4R (0.71) LTB4RLTB4R2RORCLRRK2
SCHEMBL7986905 0.90 LTB4R (0.74) LTB4RLTB4R2RORCLRRK2
SCHEMBL7986904 0.90 LTB4R (0.74) LTB4RLTB4R2RORCLRRK2
SCHEMBL7986902 0.90 LTB4R (0.74) LTB4RLTB4R2RORCLRRK2
SCHEMBL7990142 0.83 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL7986581 0.83 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL7990140 0.83 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL383026 0.80 LTB4R (0.60) LTB4RLTB4R2RORC
SCHEMBL8420271 0.77 LTB4R (0.52) LTB4RLTB4R2RORCLRRK2

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 1 patent. 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