SCHEMBL1706330

SCHEMBL1706330

CC(=O)CCCCc1nc(NC(=O)c2ncoc2-c2ccc(F)cc2)co1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 8/20 0.52
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
HCRTR2 O43614 4/20 0.38
HDAC8 Q9BY41 2/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
GSK3B P49841 1/20 0.36

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
SCHEMBL1705891 0.90 FPR2 (0.54) FPR2KDM4EGAAMEN1KMT2A
SCHEMBL1706057 0.76 FPR2 (0.41) FPR2KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL27899572 0.76 FPR2 (0.38) FPR2KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL27899577 0.75 FPR2 (0.38) FPR2KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL1706912 0.75 FPR2 (0.52) FPR2KDM4EHPGDHDAC8HDAC1
SCHEMBL1706324 0.71 FPR2 (0.54) FPR2HCRTR2
SCHEMBL1166587 0.68 FPR2 (0.63) FPR2KDM4EHCRTR2
SCHEMBL2331282 0.68 FPR2 (0.63) FPR2KDM4EHCRTR2
SCHEMBL1706200 0.67 FPR2 (0.62) FPR2ALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL27899537 0.66 ADORA2A (0.40) FPR2KDM4EHPGDHCRTR2HDAC8

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-2440536-A1 OXAZOLE AND THIAZOLE DERIVATIVES AS ALX RECEPTOR AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2012-04-18 EP claimed
EP-2440536-A1 OXAZOLE AND THIAZOLE DERIVATIVES AS ALX RECEPTOR AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2012-04-18 EP disclosed