SCHEMBL3347282

SCHEMBL3347282

CC(O)C(=O)Oc1ccc(O)cc1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.45
ELANE P08246 4/20 0.44
F2 P00734 1/20 0.44
CTSG P08311 1/20 0.43
HSP90AA1 P07900 2/20 0.41
ALOX15 P16050 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ABCB1 P08183 2/20 0.39
HSD17B3 P37058 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
SCHEMBL4512063 0.83 ALOX5 (0.50) ALOX5ELANEF2CTSGHSP90AA1
SCHEMBL4313901 0.80 ALOX5 (0.50) ALOX5ELANEF2CTSGHSP90AA1
SCHEMBL6706457 0.79 KDM4E (0.52) ALOX5ELANEF2CTSGALOX15
SCHEMBL20307373 0.78 ALOX15 (0.49) ELANEALOX15L3MBTL1
SCHEMBL5801725 0.76 ALOX5 (0.56) ALOX5ELANEF2CTSG
SCHEMBL343656 0.76 ALOX5 (0.59) ALOX5ELANEF2HSD17B3
SCHEMBL24610454 0.74 KEAP1 (0.49) ELANEALOX15L3MBTL1
SCHEMBL30297719 0.72 ALOX5 (0.54) ALOX5ELANEF2CTSGALOX15
SCHEMBL5098595 0.72 PPARA (0.45) ALOX5ELANEF2CTSG
SCHEMBL11069881 0.71 ALOX15 (0.51) ALOX15

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
WO-2010060479-A1 TEMPLATE-FIXED BETA-HAIRPIN PEPTIDOMIMETICS WITH CXCR4 ANTAGONIZING ACTIVITY POLYPHOR AG (CH) 2010-06-03 WO disclosed