SCHEMBL14248682

SCHEMBL14248682

CCOC(=O)C(Oc1cn(C2CCCC2)c2cc(NC3CCCCC3)c(F)cc2c1=O)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
FOXO1 Q12778 1/20 0.37
ALOX15 P16050 1/20 0.36
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 2/20 0.35
PPOX P50336 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CASP3 P42574 4/20 0.35
NR5A1 Q13285 1/20 0.34
BRD4 O60885 1/20 0.34
TSHR P16473 1/20 0.33
ADRB2 P07550 1/20 0.33

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
SCHEMBL14248764 0.92 MEN1 (0.47) MEN1GAAKMT2AFOXO1ALDH1A1
SCHEMBL14247997 0.91 MEN1 (0.49) MEN1GAAKMT2AFOXO1ALOX15
SCHEMBL14248448 0.89 MEN1 (0.46) MEN1GAAKMT2AFOXO1ALDH1A1
SCHEMBL14248445 0.89 MEN1 (0.46) MEN1GAAKMT2AFOXO1ALDH1A1
SCHEMBL14248432 0.89 MEN1 (0.48) MEN1GAAKMT2AFOXO1ALOX15
SCHEMBL14248443 0.85 MEN1 (0.48) MEN1GAAKMT2AFOXO1ALDH1A1
SCHEMBL261692 0.85 MEN1 (0.48) MEN1GAAKMT2AFOXO1ALDH1A1
SCHEMBL14248150 0.85 MEN1 (0.48) MEN1GAAKMT2AFOXO1ALDH1A1
SCHEMBL266982 0.84 MEN1 (0.46) MEN1GAAKMT2AFOXO1ALDH1A1
SCHEMBL14248570 0.84 MEN1 (0.51) MEN1GAAKMT2AFOXO1ALOX15

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-2012174013-A2 TREATMENT OF CARDIOVASCULAR DISEASE, STROKE, AND INFLAMMATORY CONDITIONS CARDEUS PHARMACEUTICALS, INC. (US) 2012-12-20 WO disclosed