SCHEMBL1013044

SCHEMBL1013044

CC(C)COC(=O)CCc1nccc2c(C#N)cccc12

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
XDH P47989 3/20 0.36
SLC22A12 Q96S37 2/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
ELANE P08246 1/20 0.34
S1PR1 P21453 1/20 0.34
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL1014714 0.83 LMNA (0.38) LMNAALDH1A1MEN1KMT2AHPGD
SCHEMBL1013043 0.82 SLC22A12 (0.39) SLC22A12ALDH1A1ELANEHPGDTSHR
SCHEMBL1013013 0.81 SMN1; SMN2 (0.42) LMNAALDH1A1MAPTELANESMN1; SMN2
SCHEMBL1014656 0.78 ALDH1A1 (0.36) LMNAALDH1A1MEN1KMT2AHPGD
SCHEMBL1015466 0.77 S1PR1 (0.47) S1PR1
SCHEMBL1015308 0.77 S1PR1 (0.57) S1PR1
SCHEMBL1016210 0.74 S1PR1 (0.55) S1PR1
SCHEMBL2718240 0.68 FFAR1 (0.49)
SCHEMBL1014642 0.66 HTT (0.35) SLC22A12ALDH1A1SMN1; SMN2HPGD
SCHEMBL28512976 0.65 ADAMTS5 (0.35) LMNAXDHSLC22A12ELANEMAPK1

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-2271643-A1 COMPOUNDS Glaxo Group Limited (GB) 2011-01-12 EP disclosed
WO-2009133136-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-11-05 WO disclosed