SCHEMBL13875451

SCHEMBL13875451

O=C(NC(CO)CCO)C(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 8/20 0.42
CES2 O00748 8/20 0.42
SLC1A2 P43004 1/20 0.39
MME P08473 1/20 0.39
ACE P12821 1/20 0.39
MAPK1 P28482 3/20 0.39
CYP3A4 P08684 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.37
CTRB1 P17538 1/20 0.36
PRKACA P17612 2/20 0.36

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
SCHEMBL29167801 0.83 CTRB1 (0.53) SLC1A2MAPK1SMN1; SMN2HPGDMEN1
SCHEMBL3941746 0.83 CTRB1 (0.53) SLC1A2MAPK1SMN1; SMN2HPGDMEN1
SCHEMBL3940642 0.83 CTRB1 (0.53) SLC1A2MAPK1SMN1; SMN2HPGDMEN1
SCHEMBL10818802 0.74 CTRB1 (0.44) SLC1A2MAPK1SMN1; SMN2HPGDMEN1
SCHEMBL6355600 0.73 CTRB1 (0.50) SLC1A2MAPK1SMN1; SMN2HPGDMEN1
SCHEMBL13875465 0.72 HPGD (0.49) CES1CES2SMN1; SMN2HPGDMEN1
SCHEMBL6342085 0.71 CTRB1 (0.59) SLC1A2MAPK1HPGDALOX15ALDH1A1
SCHEMBL12018317 0.71 CES2 (0.52) CES1CES2CYP3A4SMN1; SMN2HPGD
SCHEMBL28882519 0.70 CES1 (0.42) CES1CES2ACEMAPK1CYP3A4
SCHEMBL28882521 0.70 CES1 (0.42) CES1CES2ACEMAPK1CYP3A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090092768-A1 Process for the Production of Strongly Adherent Coatings CIBA SPECIALTY CHEMICALS CORP. 2009-04-09 US disclosed