SCHEMBL8350822

SCHEMBL8350822

C[C@H](NC(=O)CNC(=O)CS)C(=O)NCC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
PTGS2 P35354 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MME P08473 5/20 0.44
ACE P12821 4/20 0.44
CPA1 P15085 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
ECE1 P42892 2/20 0.41
PTGS1 P23219 1/20 0.38
GSTK1 Q9Y2Q3 1/20 0.38
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
BLM P54132 1/20 0.36
NPEPPS P55786 1/20 0.36
KMT2A Q03164 1/20 0.36
OPRD1 P41143 6/20 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
SCHEMBL8350817 1.00 ALDH1A1 (0.50) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL9054028 0.85 ALDH1A1 (0.47) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL11657849 0.83 ALDH1A1 (0.46) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL11657859 0.83 ALDH1A1 (0.46) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL11657554 0.82 ALDH1A1 (0.44) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL30546898 0.82 ALDH1A1 (0.44) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL30099553 0.82 ALDH1A1 (0.44) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL30099552 0.82 ALDH1A1 (0.44) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL11657559 0.82 ALDH1A1 (0.44) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL29548573 0.82 ALDH1A1 (0.44) ALDH1A1MAPTLMNAPTGS2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5986074-A CHELATE COMPOUNDS AS IMAGING AGENTS AND KITS EMORY UNIVERSITY (US) 1999-11-16 US disclosed
US-5955053-A TECHNETIUM OR RHENIUM CHELATES WITH LIGANDS SUCH AS DITHIOUREA, CYSTEINYLETHYLENE OR THIOACETAMIDETHIOUREA FOR IMAGES EMORY UNIVERSITY (US) 1999-09-21 US disclosed
EP-0639082-B1 METHOD AND KIT FOR PREPARING TECHNETIUM-99M COMPLEXES MALLINCKRODT MEDICAL INC (US) 1998-09-09 EP disclosed
EP-0639082-A1 METHOD AND KIT FOR PREPARING TECHNETIUM-99M COMPLEXES MALLINCKRODT MEDICAL, INC. (US) 1995-02-22 EP disclosed
EP-0639082-A4 METHOD AND KIT FOR PREPARING TECHNETIUM-99M COMPLEXES. MALLINCKRODT MEDICAL INC (US) 1994-02-02 EP disclosed
US-5268163-A Method of preparing a radiolabelled technetium complex and kit for performing said method MALLINCKRODT MEDICAL, INC. (US) 1993-12-07 US disclosed
WO-1991016076-A1 METHOD AND KIT FOR PREPARING TECHNETIUM-99M COMPLEXES MALLINCKRODT MEDICAL, INC. (US) 1991-10-31 WO disclosed