SCHEMBL7975981

SCHEMBL7975981

CC(=O)c1ccc(C#Cc2ccccc2)c(OCC(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 16/20 0.57
FFAR1 O14842 4/20 0.52
CYP2C9 P11712 1/20 0.49

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
SCHEMBL28975433 0.80 PTGDR2 (0.72) PTGDR2FFAR1CYP2C9
SCHEMBL14589545 0.77 MAPT (0.51) FFAR1CYP2C9
SCHEMBL8637573 0.77 KMT2A (0.60) PTGDR2
SCHEMBL7990328 0.74 KMT2A (0.50) PTGDR2
SCHEMBL28975431 0.74 FFAR1 (0.64) PTGDR2FFAR1CYP2C9
SCHEMBL1368495 0.73 PTGDR2 (1.00) PTGDR2CYP2C9
SCHEMBL7987656 0.73 LTB4R (0.66)
SCHEMBL7994027 0.73 LTB4R (0.66)
SCHEMBL5907838 0.73 KMT2A (0.73) CYP2C9
SCHEMBL7976206 0.72 LTB4R (0.67) PTGDR2

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