SCHEMBL8769242

SCHEMBL8769242

CC(C)(S)[C@H](NCO)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
PTGS1 P23219 1/20 0.41

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
SCHEMBL21403573 0.84 ALDH1A1 (0.43) ALDH1A1MAPTPTGS1
SCHEMBL14935873 0.76 ALDH1A1 (0.36) ALDH1A1MAPTPTGS1
SCHEMBL504480 0.76 ALDH1A1 (0.36) ALDH1A1MAPTPTGS1
SCHEMBL28235238 0.76 ALDH1A1 (0.36) ALDH1A1MAPTPTGS1
SCHEMBL970354 0.76 ALDH1A1 (0.36) ALDH1A1MAPTPTGS1
SCHEMBL31196416 0.76 ALOX15 (0.38) ALDH1A1MAPTPTGS1
SCHEMBL3109035 0.76 ALDH1A1 (0.36) ALDH1A1MAPTPTGS1
SCHEMBL18095144 0.75 ALDH1A1 (0.46) ALDH1A1MAPTPTGS1
SCHEMBL18095145 0.75 ALDH1A1 (0.46) ALDH1A1MAPTPTGS1
SCHEMBL162227 0.75 ALDH1A1 (0.46) ALDH1A1MAPTPTGS1

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 4 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 claimed
WO-1997002028-A1 INACTIVATION OF PATHOGENS USING HYDROXYMETHYLAMINES HEMASURE, INC. (US) 1997-01-23 WO claimed
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