SCHEMBL2950123

SCHEMBL2950123

CCc1ccccc1-c1ccc(C=O)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 7/20 0.50
FEN1 P39748 7/20 0.50
TRPA1 O75762 1/20 0.43
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
ABL1 P00519 2/20 0.40
ERN1 O75460 2/20 0.39
TNKS O95271 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37

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
SCHEMBL23480395 0.85 ALOX5AP (0.42) ALOX5APFEN1ERN1TNKSTNKS2
SCHEMBL17236519 0.82 PTPRC (0.51) ALOX5APFEN1TRPA1ERN1TNKS
SCHEMBL23347204 0.82 ALOX5AP (0.56) ALOX5APFEN1TRPA1PDE3BPDE3A
SCHEMBL3689077 0.81 ALOX5AP (0.46) ALOX5APFEN1ERN1TNKSTNKS2
SCHEMBL3691088 0.77 ERN1 (0.57) ALOX5APFEN1ERN1TNKS2
SCHEMBL9287992 0.76 ALOX5AP (0.50) ALOX5APFEN1TRPA1PDE3BPDE3A
SCHEMBL2948017 0.76 ALOX5AP (0.54) ALOX5APFEN1TRPA1PDE3BPDE3A
SCHEMBL2480683 0.76 ERN1 (0.41) ABL1ERN1
SCHEMBL2946464 0.76 ALOX5AP (0.41) ALOX5APFEN1TRPA1PDE3BPDE3A
SCHEMBL2946461 0.76 ALOX5AP (0.41) ALOX5APFEN1TRPA1PDE3BPDE3A

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-2396301-A2 SMALL MOLECULE BRADYKININ B1 RECEPTOR ANTAGONISTS Jerini AG (DE) 2011-12-21 EP disclosed
WO-2010091876-A2 SMALL MOLECULE BRADYKININ B1 RECEPTOR ANTAGONISTS JERINI AG (DE) 2010-08-19 WO disclosed