SCHEMBL16385192

SCHEMBL16385192

NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)NCCOCCOCCO

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ LMNA P02545 1/20 0.48
▸ CTSL P07711 2/20 0.45
▸ CTSS P25774 2/20 0.45
▸ MME P08473 1/20 0.45
▸ ECE1 P42892 1/20 0.45
▸ SIRT2 Q8IXJ6 3/20 0.44
▸ TPSAB1 Q15661 2/20 0.44
▸ CAPN1 P07384 1/20 0.44
▸ CAPN2 P17655 1/20 0.44
▸ SIRT1 Q96EB6 1/20 0.43
▸ CTSB P07858 1/20 0.43
▸ CTSK P43235 1/20 0.43

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
SCHEMBL21422716 0.93 SMN1; SMN2 (0.53) SMN1; SMN2LMNACTSLCTSSMME
SCHEMBL16384723 0.88 SMN1; SMN2 (0.49) SMN1; SMN2LMNACTSLCTSSMME
SCHEMBL21422694 0.85 SMN1; SMN2 (0.59) SMN1; SMN2LMNACTSLCTSSMME
SCHEMBL16384896 0.85 SMN1; SMN2 (0.59) SMN1; SMN2LMNACTSLCTSSMME
SCHEMBL30634608 0.85 SMN1; SMN2 (0.53) SMN1; SMN2LMNACTSLCTSSSIRT2
SCHEMBL10739937 0.83 SMN1; SMN2 (0.56) SMN1; SMN2CTSLCTSSMMEECE1
SCHEMBL10746514 0.83 SMN1; SMN2 (0.56) SMN1; SMN2CTSLCTSSMMEECE1
SCHEMBL30914622 0.83 SMN1; SMN2 (0.58) SMN1; SMN2CTSLCTSSMMEECE1
SCHEMBL29437121 0.83 SMN1; SMN2 (0.62) SMN1; SMN2CTSLCTSSMMEECE1
SCHEMBL12109818 0.83 SMN1; SMN2 (0.54) SMN1; SMN2CTSLCTSSMMEECE1

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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