SCHEMBL5772593

SCHEMBL5772593

CC1(CO)COC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(NCCCN4CCNC4)n3)[nH]2)OC1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 9/20 0.58
MAPK12 P53778 9/20 0.58
MAPK11 Q15759 9/20 0.58
MAPK14 Q16539 9/20 0.58
SOAT1 P35610 3/20 0.42

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
SCHEMBL5769461 0.91 MAPK13 (0.59) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5769988 0.90 MAPK13 (0.64) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5768594 0.90 MAPK13 (0.59) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5772331 0.90 MAPK13 (0.63) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5770972 0.89 MAPK13 (0.54) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5768495 0.89 MAPK13 (0.66) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5772601 0.89 MAPK13 (0.58) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5771582 0.89 MAPK13 (0.70) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5767725 0.88 MAPK13 (0.64) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5768335 0.88 MAPK13 (0.58) MAPK13MAPK12MAPK11MAPK14SOAT1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0988301-B1 IMIDAZOLYL-CYCLIC ACETALS AVENTIS PHARMA LTD (GB) 2006-08-09 EP disclosed
US-6989395-B2 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2006-01-24 US disclosed
US-6602877-B1 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2003-08-05 US disclosed
EP-0988301-A1 IMIDAZOLYL-CYCLIC ACETALS RHONE-POULENC RORER LIMITED (GB) 2000-03-29 EP disclosed
WO-1998056788-A1 IMIDAZOLYL-CYCLIC ACETALS RHONE-POULENC RORER LIMITED (GB) 1998-12-17 WO disclosed