SCHEMBL8768847

SCHEMBL8768847

CC(O)C(NCO)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
MME P08473 2/20 0.36
CD274 Q9NZQ7 4/20 0.36
PDCD1LG2 Q9BQ51 2/20 0.36
ALDH1A1 P00352 1/20 0.35
OR51E2 Q9H255 1/20 0.35
CA2 P00918 2/20 0.34
CA1 P00915 1/20 0.34
VSIR Q9H7M9 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL8768850 1.00 TP53 (0.39) TP53MMECD274PDCD1LG2ALDH1A1
SCHEMBL3376844 0.84 ALDH1A1 (0.39) TP53MMEALDH1A1CA2CA1
SCHEMBL5074809 0.83 SMN1; SMN2 (0.40) TP53ALDH1A1SMN1; SMN2
SCHEMBL5074810 0.83 SMN1; SMN2 (0.40) TP53ALDH1A1SMN1; SMN2
SCHEMBL9603268 0.82 ALDH1A1 (0.37) TP53MMECD274PDCD1LG2ALDH1A1
SCHEMBL10207210 0.81 ALDH1A1 (0.39) TP53MMECD274PDCD1LG2ALDH1A1
SCHEMBL3677561 0.81 ALDH1A1 (0.39) TP53MMECD274PDCD1LG2ALDH1A1
SCHEMBL3677560 0.81 ALDH1A1 (0.39) TP53MMECD274PDCD1LG2ALDH1A1
SCHEMBL19355664 0.81 ALDH1A1 (0.39) TP53MMECD274PDCD1LG2ALDH1A1
SCHEMBL23961406 0.79 CYP2D6 (0.44) TP53MMEALDH1A1CA2CA1

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