SCHEMBL4852220

SCHEMBL4852220

C=CC(=O)NCCOCCOC(C)C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
ALDH1A1 P00352 5/20 0.39
TSHR P16473 5/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
EPHX2 P34913 2/20 0.39
TP53 P04637 2/20 0.36
HIF1A Q16665 2/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PYGL P06737 1/20 0.33
TGM2 P21980 1/20 0.33
HTT P42858 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL2608232 0.90 ZDHHC20 (0.47) MEN1KMT2AZDHHC20ZDHHC2ALDH1A1
SCHEMBL20798489 0.86 MEN1 (0.44) MEN1KMT2AZDHHC20ZDHHC2ALDH1A1
SCHEMBL12328966 0.86 TSHR (0.52) MEN1KMT2AZDHHC20ZDHHC2ALDH1A1
SCHEMBL12213321 0.86 TSHR (0.52) MEN1KMT2AZDHHC20ZDHHC2ALDH1A1
SCHEMBL4361183 0.86 TSHR (0.52) MEN1KMT2AZDHHC20ZDHHC2ALDH1A1
SCHEMBL12328384 0.86 TSHR (0.52) MEN1KMT2AZDHHC20ZDHHC2ALDH1A1
SCHEMBL10064051 0.84 TSHR (0.54) MEN1KMT2AZDHHC20ZDHHC2ALDH1A1
SCHEMBL18721198 0.83 MEN1 (0.47) MEN1KMT2AZDHHC20ZDHHC2ALDH1A1
SCHEMBL20459821 0.83 KMT2A (0.56) MEN1KMT2AZDHHC20ZDHHC2ALDH1A1
SCHEMBL3109503 0.83 ALDH1A1 (0.56) KMT2AZDHHC20ZDHHC2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7329694-B2 Ocular lens JOHNSON & JOHNSON VISION CARE, INC. (US) 2008-02-12 US claimed
US-7329694-B2 Ocular lens JOHNSON & JOHNSON VISION CARE, INC. (US) 2008-02-12 US disclosed
US-20040201820-A1 Ocular lens JOHNSON & JOHNSON VISION CARE, INC. 2004-10-14 US disclosed
EP-1445641-A1 OCULAR LENS Johnson & Johnson Vision Care, Inc. (US) 2004-08-11 EP disclosed