SCHEMBL5772643

SCHEMBL5772643

CC1(C(=O)NC2CCCCC2)COC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(NCC4CCCO4)n3)[nH]2)OC1

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.65
MAPK13 O15264 11/20 0.65
MAPK12 P53778 11/20 0.65
MAPK11 Q15759 11/20 0.65
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL5769844 0.97 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL5771853 0.92 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL5772412 0.92 MAPK13 (0.77) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5773837 0.90 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL5768890 0.90 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5769008 0.90 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL5768364 0.90 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5769067 0.90 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL5771569 0.89 MAPK14 (0.74) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5769459 0.89 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11

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