SCHEMBL2597933

SCHEMBL2597933

NC(CC(=O)O)n1ccc(=O)[nH]c1=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 3/20 0.42
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PTGS2 P35354 2/20 0.39
DDB1 Q16531 1/20 0.39
GRIA1 P42261 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIA4 P48058 1/20 0.37
GRIK5 Q16478 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
DUT P33316 2/20 0.35
SLC28A1 O00337 1/20 0.35
SLC28A2 O43868 1/20 0.35
SLC29A1 Q99808 1/20 0.35
SLC28A3 Q9HAS3 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
SCHEMBL1938808 1.00 CRBN (0.42) CRBNPOLBHSD17B10PTGS2DDB1
SCHEMBL16289906 0.84 CRBN (0.40) CRBNPOLBHSD17B10PTGS2DDB1
SCHEMBL5290093 0.78 CRBN (0.46) CRBNPOLBHSD17B10PTGS2DDB1
SCHEMBL4551699 0.73 PKM (0.41) CRBNDDB1ALDH1A1PKMDUT
SCHEMBL725455 0.73 CRBN (0.43) CRBNPOLBHSD17B10PTGS2DDB1
SCHEMBL2787886 0.73 CRBN (0.43) CRBNPOLBHSD17B10PTGS2DDB1
SCHEMBL6666895 0.72 POLB (0.47) CRBNPOLBHSD17B10PTGS2DDB1
SCHEMBL1344880 0.72 CRBN (0.50) CRBNPOLBHSD17B10DDB1PKM
SCHEMBL2990979 0.72 CRBN (0.50) CRBNPOLBHSD17B10DDB1PKM
SCHEMBL14237174 0.70 POLB (0.45) CRBNPOLBHSD17B10DDB1ALDH1A1

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-2572192-A2 A GENERAL MASS SPECTROMETRY ASSAY USING CONTINUOUSLY ELUTING CO-FRACTIONATING REPORTERS OF MASS SPECTROMETRY DETECTION EFFICIENCY The UAB Research Foundation (US) 2013-03-27 EP disclosed
WO-2011146521-A2 A GENERAL MASS SPECTROMETRY ASSAY USING CONTINUOUSLY ELUTING CO-FRACTIONATING REPORTERS OF MASS SPECTROMETRY DETECTION EFFICIENCY THE UAB RESEARCH FOUNDATION (US) 2011-11-24 WO disclosed