SCHEMBL16384887

SCHEMBL16384887

NCCOCCOCCNC(=O)C(CCC(N)=O)NOCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ HTT P42858 1/20 0.48
▸ EPOR P19235 3/20 0.46
▸ TLR2 O60603 1/20 0.46
▸ LMNA P02545 1/20 0.43
▸ TACR2 P21452 4/20 0.42
▸ NPY1R P25929 3/20 0.41
▸ CHRNA1 P02708 2/20 0.41
▸ CHRNG P07510 2/20 0.41
▸ CHRNB1 P11230 2/20 0.41
▸ CHRND Q07001 2/20 0.41
▸ NPY4R P50391 1/20 0.40
▸ MME P08473 1/20 0.39
▸ ECE1 P42892 1/20 0.39

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
SCHEMBL17381391 0.86 CTSS (0.45) SMN1; SMN2HTTEPORTLR2LMNA
SCHEMBL16384896 0.85 SMN1; SMN2 (0.59) SMN1; SMN2TLR2LMNAMMEECE1
SCHEMBL21422694 0.85 SMN1; SMN2 (0.59) SMN1; SMN2TLR2LMNAMMEECE1
SCHEMBL16384882 0.81 ALB (0.40) SMN1; SMN2HTTEPORNPY1RCHRNA1
SCHEMBL21422716 0.79 SMN1; SMN2 (0.53) SMN1; SMN2TLR2LMNAMMEECE1
SCHEMBL16371656 0.77 MEN1 (0.40) SMN1; SMN2TLR2TACR2NPY1RNPY4R
SCHEMBL17381478 0.73 SMN1; SMN2 (0.57) SMN1; SMN2LMNA
SCHEMBL17804046 0.73 SMN1; SMN2 (0.65) SMN1; SMN2MMEECE1
SCHEMBL16384724 0.73 SMN1; SMN2 (0.54) SMN1; SMN2LMNAMMEECE1
SCHEMBL27500556 0.72 FOLH1 (0.48) HTTMMEECE1

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-2015006728-A2 SITE-SPECIFIC CHEMOENZYMATIC PROTEIN MODIFICATIONS USERA AIMEE (US) 2015-01-15 — — WO disclosed
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