SCHEMBL5074809

SCHEMBL5074809

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
PLA2G2A P14555 1/20 0.39
PLA2G5 P39877 1/20 0.39
ALDH1A1 P00352 4/20 0.37
NPSR1 Q6W5P4 2/20 0.37
ADAMTS4 O75173 1/20 0.37
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
TP53 P04637 1/20 0.35
SLC7A5 Q01650 1/20 0.35

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
SCHEMBL5074810 1.00 SMN1; SMN2 (0.40) SMN1; SMN2PLA2G2APLA2G5ALDH1A1NPSR1
SCHEMBL8768850 0.83 TP53 (0.39) SMN1; SMN2ALDH1A1TP53
SCHEMBL8768847 0.83 TP53 (0.39) SMN1; SMN2ALDH1A1TP53
SCHEMBL16041452 0.83 ALDH1A1 (0.40) SMN1; SMN2PLA2G2APLA2G5ALDH1A1NPSR1
SCHEMBL16041451 0.83 ALDH1A1 (0.40) SMN1; SMN2PLA2G2APLA2G5ALDH1A1NPSR1
SCHEMBL4622349 0.82 SMN1; SMN2 (0.46) SMN1; SMN2PLA2G2APLA2G5ALDH1A1NPSR1
SCHEMBL3294010 0.81 SMN1; SMN2 (0.42) SMN1; SMN2PLA2G2APLA2G5ALDH1A1NPSR1
SCHEMBL3294007 0.81 SMN1; SMN2 (0.42) SMN1; SMN2PLA2G2APLA2G5ALDH1A1NPSR1
SCHEMBL597202 0.81 SMN1; SMN2 (0.38) SMN1; SMN2PLA2G2APLA2G5ALDH1A1NPSR1
SCHEMBL1319707 0.80 SMN1; SMN2 (0.44) SMN1; SMN2PLA2G2APLA2G5ALDH1A1NPSR1

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 6 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-1924699-A2 AUREOBASIDIN A SYNTHETASE Aureogen Biosciences (US) 2008-05-28 EP disclosed
WO-2007025181-A2 AUREOBASIDIN A SYNTHETASE AUREOGEN BIOSCIENCES (US) 2007-03-01 WO disclosed
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