SCHEMBL8416392

SCHEMBL8416392

CC(C)(C)C(=O)N[C@@H](CSSC[C@H](NC(=O)C(C)(C)C)C(=O)O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 3/20 0.44
▸ ITGA4 P13612 3/20 0.44
▸ MME P08473 1/20 0.36
▸ ACE P12821 1/20 0.36
▸ ACE2 Q9BYF1 1/20 0.36
▸ TGFBR1 P36897 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ FOLH1 Q04609 3/20 0.35
▸ NAALAD2 Q9Y3Q0 3/20 0.35
▸ RIMKLA Q8IXN7 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ THPO P40225 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ BLM P54132 1/20 0.35

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
SCHEMBL8417827 0.93 MAPT (0.47) ITGB1ITGA4MMEACEACE2
SCHEMBL10950960 0.83 ITGB1 (0.44) ITGB1ITGA4MMEACEACE2
SCHEMBL4576379 0.83 PPARG (0.35) MMEACEACE2POLBMAPK1
SCHEMBL10950963 0.83 ITGB1 (0.44) ITGB1ITGA4MMEACEACE2
SCHEMBL4576383 0.83 PPARG (0.35) MMEACEACE2POLBMAPK1
SCHEMBL13262189 0.82 ASAH1 (0.35) ITGB1ITGA4ASAH1
SCHEMBL31676720 0.82 MAPT (0.38) ACEKDM4EMAPTTHRBALOX15
SCHEMBL13589971 0.80 ITGB1 (0.44) ITGB1ITGA4ACETGFBR1POLB
SCHEMBL9554833 0.79 LMNA (0.51) POLBMAPK1FOLH1ALOX15SMN1; SMN2
SCHEMBL11414215 0.79 LMNA (0.51) POLBMAPK1FOLH1ALOX15SMN1; SMN2

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-5889050-A IMMUNOMODULATOR ASTRA AKTIEBOLAG (SE) 1999-03-30 — — US disclosed
Send feedback