SCHEMBL12997194

SCHEMBL12997194

CC(=O)NC(CSSCCC(N)=O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ THPO P40225 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ GNPAT O15228 1/20 0.38
▸ ITGB1 P05556 3/20 0.38
▸ ITGA4 P13612 3/20 0.38
▸ FOLH1 Q04609 4/20 0.37
▸ RIMKLA Q8IXN7 1/20 0.37
▸ NAALAD2 Q9Y3Q0 1/20 0.37
▸ KMT2A Q03164 1/20 0.35
▸ SIRT5 Q9NXA8 1/20 0.34
▸ ICMT O60725 1/20 0.34

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
SCHEMBL20850251 0.90 SIRT5 (0.36) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL20830622 0.90 SIRT5 (0.36) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL20213762 0.85 MAPT (0.49) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL20213764 0.85 MAPT (0.49) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL25329304 0.84 MAPT (0.59) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL308083 0.84 MAPT (0.59) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL2140974 0.84 MAPT (0.59) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL24067699 0.84 MAPT (0.59) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL308082 0.84 MAPT (0.59) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL24378366 0.83 MAPT (0.50) MAPTKDM4ETHRBALOX15NFKB1

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-2010147831-A1 DENDRIMER BASED NANODEVICES FOR THERAPEUTIC AND IMAGING PURPOSES WAYNE STATE UNIVERSITY (US) 2010-12-23 — — WO disclosed
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