SCHEMBL7951389

SCHEMBL7951389

NC(=O)COCC(=O)NCCOCCOCCOCCNC(=O)COCC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NCF1 P14598 1/20 0.38
CA2 P00918 6/20 0.38
CA12 O43570 4/20 0.38
CA1 P00915 4/20 0.38
CA4 P22748 4/20 0.38
CA9 Q16790 4/20 0.38
CA14 Q9ULX7 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 1/20 0.36
RECQL P46063 1/20 0.36
GLP1R P43220 5/20 0.34
FAAH O00519 1/20 0.33
SLC9A3 P48764 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL4283146 0.96 MEN1 (0.41) MEN1KMT2ANCF1CA2CA12
SCHEMBL10046408 0.93 MEN1 (0.41) MEN1KMT2ANCF1CA2CA12
SCHEMBL13062338 0.93 MEN1 (0.38) MEN1KMT2ANCF1CA2CA12
SCHEMBL15150163 0.93 MEN1 (0.37) MEN1KMT2ANCF1CA2CA12
SCHEMBL13434054 0.93 MEN1 (0.37) MEN1KMT2ANCF1CA2CA12
SCHEMBL10046334 0.93 MEN1 (0.41) MEN1KMT2ANCF1CA2CA12
SCHEMBL10001388 0.93 MEN1 (0.41) MEN1KMT2ANCF1CA2CA12
SCHEMBL12935719 0.93 MEN1 (0.37) MEN1KMT2ANCF1CA2CA12
SCHEMBL13014692 0.93 MEN1 (0.41) MEN1KMT2ANCF1CA2CA12
SCHEMBL12353662 0.91 MEN1 (0.40) MEN1KMT2ANCF1CA2CA12

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-2010007030-A2 TREATMENT MONITORING GE HEALTHCARE LIMITED (GB) 2010-01-21 WO disclosed