SCHEMBL18950367

SCHEMBL18950367

COC(=O)[C@H](C)NC(=O)[C@H](CS)NC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
RECQL P46063 2/20 0.52
KDM4E B2RXH2 2/20 0.52
THRB P10828 1/20 0.52
ALOX15 P16050 1/20 0.52
NFKB1 P19838 1/20 0.52
PTGS2 P35354 1/20 0.52
THPO P40225 1/20 0.52
BLM P54132 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ACE P12821 1/20 0.40
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
BIRC2 Q13490 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CA14 Q9ULX7 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL17951002 0.84 KDM4E (0.53) MAPTRECQLKDM4ETHRBALOX15
SCHEMBL13645737 0.84 BIRC2 (0.42) MAPTRECQLKDM4ETHRBALOX15
SCHEMBL29392579 0.82 KDM4E (0.66) MAPTRECQLKDM4ETHRBALOX15
SCHEMBL13645756 0.81 BIRC2 (0.47) MAPTKDM4ESMN1; SMN2BIRC2ALDH1A1
SCHEMBL21737912 0.81 BIRC2 (0.40) MAPTACEBIRC2ALDH1A1TSHR
SCHEMBL14409746 0.81 THRB (0.50) MAPTRECQLKDM4ETHRBALOX15
SCHEMBL112331 0.81 SMN1; SMN2 (0.63) MAPTRECQLKDM4ETHRBALOX15
SCHEMBL112332 0.81 SMN1; SMN2 (0.63) MAPTRECQLKDM4ETHRBALOX15
SCHEMBL14088106 0.81 SMN1; SMN2 (0.63) MAPTRECQLKDM4ETHRBALOX15
SCHEMBL12354387 0.80 KDM4E (0.61) MAPTRECQLKDM4ETHRBALOX15

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
US-9676818-B2 Toll-like receptor 2-agonistic lipopeptides, and method of making the same UNIVERSITY OF KANSAS (US) 2017-06-13 US disclosed