SCHEMBL8829463

SCHEMBL8829463

O=C(O)[C@H](CS)NN1C(=O)CCC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
ALOX15 P16050 1/20 0.46
NFKB1 P19838 1/20 0.46
PTGS2 P35354 1/20 0.46
THPO P40225 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ACE P12821 3/20 0.38
FOLH1 Q04609 1/20 0.36
FNTA P49354 2/20 0.33
FNTB P49356 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
PTGS1 P23219 1/20 0.30
SLC7A11 Q9UPY5 1/20 0.30

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
SCHEMBL28197295 0.81 GAA (0.36) MAPTALDH1A1PKMCA1CA2
SCHEMBL27738869 0.81 POLB (0.36) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL31506472 0.80 KDM4E (0.39) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL29631981 0.79 KDM4E (0.42) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL31589432 0.79 ALDH1A1 (0.50) MAPTACEFOLH1ALDH1A1
SCHEMBL31171291 0.79 FPR2 (0.40) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL31590099 0.77 CA12 (0.36) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL30332077 0.75 FOLH1 (0.45) ACEFOLH1CA1CA2
SCHEMBL30480270 0.73
SCHEMBL11360473 0.73 ALDH1A1 (0.47) KDM4EMAPTNFKB1PTGS2FNTA

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
US-5635593-A TWO OR MORE BRADYKININ ANTAGONIST PEPTIDES CHEMICALLY LINKED BY ONE OR MORE SUCCINIMIDO GROUP VIA THIOETHER BOND TO FORM DIMER OR HIGHER OLIGOMER CORTECH, INC. (US) 1997-06-03 US disclosed
US-5620958-A DIMERIZED PEPTIDES HAVING A BISSUCCINIMIDO GROUP ATTACHED TO CYSTEINE THIO GROUP; ANALGESICS FOR SEVERE PAIN CORETECH, INC. (US) 1997-04-15 US disclosed
WO-1992017201-A1 BRADYKININ ANTAGONISTS CORTECH, INC. (US) 1992-10-15 WO disclosed