SCHEMBL8769330

SCHEMBL8769330

CC(N)(S)CO.CC(S)(CO)C(=O)NCC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.37
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
PTGS2 P35354 1/20 0.36
PRSS1 P07477 2/20 0.32
TMPRSS15 P98073 2/20 0.32
MME P08473 1/20 0.32
ACE P12821 1/20 0.32
CPA1 P15085 1/20 0.32
ACE2 Q9BYF1 1/20 0.32
CTH P32929 1/20 0.31
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30
APEX1 P27695 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
SCHEMBL8768562 0.93 EGLN1 (0.42) EGLN1TDP1ALDH1A1LMNAMAPT
SCHEMBL11403584 0.77 TDP1 (0.41) EGLN1TDP1ALDH1A1LMNAMAPT
SCHEMBL3389933 0.74 TDP1 (0.45) EGLN1TDP1ALDH1A1LMNAMAPT
SCHEMBL29476671 0.74 EGLN1 (0.41) EGLN1TDP1ALDH1A1LMNAMAPT
SCHEMBL10786951 0.73 ALDH1A1 (0.37) EGLN1TDP1ALDH1A1LMNAMAPT
SCHEMBL17636577 0.72 EGLN1 (0.40) EGLN1TDP1ALDH1A1LMNAMAPT
SCHEMBL6468862 0.71 TDP1 (0.42) EGLN1TDP1ALDH1A1LMNAMAPT
SCHEMBL1650978 0.69 EGLN1 (0.44) EGLN1TDP1ALDH1A1LMNAMAPT
SCHEMBL8768443 0.68
SCHEMBL8578336 0.68 MMP8 (0.47) ALDH1A1LMNAMAPTMMEACE

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