SCHEMBL796619

SCHEMBL796619

CCOC(=O)CC(NC)C(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
MGAM O43451 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
ALDH1A1 P00352 7/20 0.40
TRPA1 O75762 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HSD17B10 Q99714 2/20 0.39
LMNA P02545 1/20 0.39
ALOX15 P16050 3/20 0.38
KMT2A Q03164 2/20 0.38
CYP3A4 P08684 2/20 0.38
TSHR P16473 2/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CHRM1 P11229 1/20 0.37
ADORA1 P30542 1/20 0.37
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL13624780 0.86 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL22111168 0.84 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL13475040 0.81 MGAM (0.42) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL796590 0.81 MGAM (0.42) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL8288900 0.81 L3MBTL1 (0.57) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL20342165 0.81 MAPT (0.38) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL797542 0.81 L3MBTL1 (0.57) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL12085204 0.79 NAAA (0.53) L3MBTL1TSHR
SCHEMBL12642020 0.79 NAAA (0.53) L3MBTL1TSHR
SCHEMBL13982564 0.77 GAA (0.54) GAAMGAMSIMGAM2ALDH1A1

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-20120071612-A1 METHOD FOR THE PRODUCTION OF POLYAMINO ACID RANDOM COPOLYMERS SIGMA-ALDRICH CO., LLC (US) 2012-03-22 US disclosed