SCHEMBL8627016

SCHEMBL8627016

O=C(O)[C@H](CCS)NCCN[C@@H](CCS)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GGT1 P19440 2/20 0.46
FOLH1 Q04609 7/20 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
ACE P12821 2/20 0.36
ENPEP Q07075 2/20 0.35
ANPEP P15144 1/20 0.35
RIMKLA Q8IXN7 1/20 0.35
NAALAD2 Q9Y3Q0 1/20 0.35
NOD1 Q9Y239 1/20 0.33
PTGS1 P23219 1/20 0.32
SLC7A11 Q9UPY5 1/20 0.32

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
SCHEMBL20259387 0.94 KDM4E (0.45) GGT1FOLH1KDM4EMAPTTHRB
SCHEMBL145047 0.93 GGT1 (0.44) GGT1FOLH1KDM4EMAPTTHRB
SCHEMBL5507865 0.91 GGT1 (0.43) GGT1FOLH1KDM4EMAPTTHRB
SCHEMBL20836757 0.89 GGT1 (0.42) GGT1FOLH1KDM4EMAPTTHRB
SCHEMBL313184 0.89 GGT1 (0.42) GGT1FOLH1KDM4EMAPTTHRB
SCHEMBL5867413 0.87 GGT1 (0.41) GGT1FOLH1KDM4EMAPTTHRB
SCHEMBL27624627 0.87 FOLH1 (0.48) GGT1FOLH1ENPEPANPEPRIMKLA
SCHEMBL474687 0.87 GGT1 (0.41) GGT1FOLH1KDM4EMAPTTHRB
SCHEMBL474688 0.87 GGT1 (0.41) GGT1FOLH1KDM4EMAPTTHRB
SCHEMBL3386652 0.84 NOD1 (0.49) GGT1KDM4EMAPTTHRBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0444130-B1 TECHNETIUM-99m COMPLEX FOR EXAMINING THE RENAL FUNCTION MALLINCKRODT INC (US) 1998-06-10 EP disclosed
WO-1990005733-A1 TECHNETIUM-99m COMPLEX FOR EXAMINING THE RENAL FUNCTION MALLINCKRODT, INC. (US) 1990-05-31 WO disclosed