SCHEMBL8768562

SCHEMBL8768562

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.42
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
PTGS2 P35354 1/20 0.41
MME P08473 2/20 0.35
ACE P12821 1/20 0.35
CPA1 P15085 1/20 0.35
ACE2 Q9BYF1 1/20 0.35
CTH P32929 1/20 0.34
APEX1 P27695 1/20 0.33
ECE1 P42892 1/20 0.32
FPR2 P25090 1/20 0.32
PLA2G2A P14555 1/20 0.32
POLB P06746 2/20 0.30
KMT2A Q03164 1/20 0.30
HMGCR P04035 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 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
SCHEMBL8769330 0.93 EGLN1 (0.37) EGLN1TDP1ALDH1A1LMNAMAPT
SCHEMBL11403584 0.83 TDP1 (0.41) EGLN1TDP1ALDH1A1LMNAMAPT
SCHEMBL3389933 0.80 TDP1 (0.45) EGLN1TDP1ALDH1A1LMNAMAPT
SCHEMBL10786951 0.79 ALDH1A1 (0.37) EGLN1TDP1ALDH1A1LMNAMAPT
SCHEMBL17636577 0.78 EGLN1 (0.40) EGLN1TDP1ALDH1A1LMNAMAPT
SCHEMBL6468862 0.77 TDP1 (0.42) EGLN1TDP1ALDH1A1LMNAMAPT
SCHEMBL1650978 0.75 EGLN1 (0.44) EGLN1TDP1ALDH1A1LMNAMAPT
SCHEMBL8578336 0.73 MMP8 (0.47) ALDH1A1LMNAMAPTMMEACE
Ammonia Solution, Strong SCHEMBL27685625 0.73 EGLN1 (0.43) EGLN1TDP1ALDH1A1LMNAMAPT
SCHEMBL8787301 0.73 EGLN1 (0.43) EGLN1TDP1ALDH1A1LMNAMAPT

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