SCHEMBL8768575

SCHEMBL8768575

C[C@H](NCO)C(=O)O.O=C(O)[C@H](CO)NCO

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.41
MME P08473 5/20 0.40
OR51E2 Q9H255 1/20 0.36
FOLH1 Q04609 2/20 0.35
NAALAD2 Q9Y3Q0 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TP53 P04637 1/20 0.35
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
ACE P12821 1/20 0.33

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
SCHEMBL8768569 1.00 TGFBR1 (0.41) TGFBR1MMEOR51E2FOLH1NAALAD2
SCHEMBL8769073 0.87
SCHEMBL8769068 0.87
SCHEMBL147537 0.87
SCHEMBL1923394 0.87
SCHEMBL8768567 0.80 MME (0.36) TGFBR1MMEOR51E2
SCHEMBL8768558 0.77 TGFBR1 (0.30) TGFBR1
SCHEMBL23052781 0.74 MME (0.46) TGFBR1MMEFOLH1NAALAD2ALDH1A1
SCHEMBL21451346 0.74 MME (0.46) TGFBR1MMEFOLH1NAALAD2ALDH1A1
SCHEMBL21451281 0.74 MME (0.46) TGFBR1MMEFOLH1NAALAD2ALDH1A1

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-0792146-A1 INACTIVATION OF PATHOGENS USING HYDROXYMETHYLAMINES HEMASURE, INC. (US) 1997-09-03 EP disclosed
WO-1997002028-A1 INACTIVATION OF PATHOGENS USING HYDROXYMETHYLAMINES HEMASURE, INC. (US) 1997-01-23 WO disclosed