SCHEMBL8002689

SCHEMBL8002689

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.47
FNTA P49354 10/20 0.46
FNTB P49356 10/20 0.46
MME P08473 1/20 0.46
PGGT1B P53609 2/20 0.42
PTGS1 P23219 2/20 0.41
SLC7A11 Q9UPY5 1/20 0.41
GSTK1 Q9Y2Q3 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
ALOX15 P16050 1/20 0.40
NFKB1 P19838 1/20 0.40
PTGS2 P35354 1/20 0.40
THPO P40225 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL30128682 0.92 MME (0.51) ACEFNTAFNTBMMEPGGT1B
SCHEMBL6791478 0.92 MME (0.51) ACEFNTAFNTBMMEPGGT1B
SCHEMBL6791475 0.92 MME (0.51) ACEFNTAFNTBMMEPGGT1B
SCHEMBL14571186 0.90 FNTA (0.47) ACEFNTAFNTBMME
SCHEMBL31169703 0.90 ACE (0.44) ACEFNTAFNTBMMEPTGS1
SCHEMBL30496770 0.89 MME (0.49) ACEFNTAFNTBMMEPGGT1B
SCHEMBL30010918 0.88 ACE (0.56) ACEFNTAFNTBPGGT1BPTGS1
SCHEMBL29874133 0.88 ACE (0.56) ACEFNTAFNTBPGGT1BPTGS1
SCHEMBL30010218 0.88 ACE (0.56) ACEFNTAFNTBPGGT1BPTGS1
SCHEMBL30010824 0.88 ACE (0.56) ACEFNTAFNTBPGGT1BPTGS1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0776334-A4 STABLE ANALOGS OF BIOACTIVE PEPTIDES CONTAINING DISULFIDE LINKAGES MALLINCKRODT MEDICAL INC (US) 2000-05-03 EP disclosed
EP-0776334-A1 STABLE ANALOGS OF BIOACTIVE PEPTIDES CONTAINING DISULFIDE LINKAGES MALLINCKRODT MEDICAL, INC. (US) 1997-06-04 EP disclosed
WO-1996003429-A1 STABLE ANALOGS OF BIOACTIVE PEPTIDES CONTAINING DISULFIDE LINKAGES MALLINCKRODT MEDICAL, INC. (US) 1996-02-08 WO disclosed