SCHEMBL28790680

SCHEMBL28790680

COC(=O)CC[C@H](NC(=O)CC(C)=O)C(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
ALOX5 P09917 1/20 0.42
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
TSHR P16473 2/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
HDAC2 Q92769 1/20 0.36
CYP2C9 P11712 1/20 0.36
SLC1A1 P43005 1/20 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
SCHEMBL28790681 1.00 L3MBTL1 (0.54) L3MBTL1KMT2APOLBCA12CA1
SCHEMBL13236359 0.88 KMT2A (0.50) L3MBTL1KMT2APOLBCA12CA1
SCHEMBL3867654 0.86 L3MBTL1 (0.50) L3MBTL1KMT2APOLBCA12CA1
SCHEMBL13236361 0.85 POLB (0.59) L3MBTL1KMT2APOLBCA12CA1
SCHEMBL27846690 0.85 L3MBTL1 (0.45) L3MBTL1KMT2APOLBCA12CA1
SCHEMBL27846693 0.85 L3MBTL1 (0.45) L3MBTL1KMT2APOLBCA12CA1
SCHEMBL13660497 0.84 L3MBTL1 (0.56) L3MBTL1KMT2APOLBCA12CA1
SCHEMBL463421 0.84 CA12 (0.48) L3MBTL1KMT2APOLBCA12CA1
SCHEMBL468764 0.84 CA12 (0.48) L3MBTL1KMT2APOLBCA12CA1
SCHEMBL28643597 0.82 TAS1R3 (0.46) L3MBTL1KMT2APOLBCA1CA2

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
CN-101906069-A (S)-2-substituted-(3'-acetyl-2'-pyridone-1'-yl) acetic acid as well as preparation method and application thereof UNIV CAPITAL MEDICAL 2010-12-08 CN disclosed