SCHEMBL11325236

SCHEMBL11325236

CCC(C)(C)NCCC(C(=O)O)C(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
POLB P06746 1/20 0.45
THRB P10828 1/20 0.45
RECQL P46063 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 6/20 0.41
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
FLT1 P17948 3/20 0.39
FLT4 P35916 3/20 0.39
KDR P35968 3/20 0.39
ALOX12 P18054 2/20 0.39
CYP3A4 P08684 2/20 0.39

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
SCHEMBL2291287 0.77 SMN1; SMN2 (0.55) L3MBTL1POLBTHRBRECQLTDP1
SCHEMBL11325238 0.75 POLB (0.41) L3MBTL1POLBTHRBRECQLTDP1
SCHEMBL11481511 0.70 L3MBTL1 (0.49) L3MBTL1POLBTHRBRECQLTDP1
SCHEMBL10874236 0.67 ALDH1A1 (0.52) L3MBTL1POLBTHRBRECQLTDP1
SCHEMBL10362600 0.67 SMN1; SMN2 (0.52) L3MBTL1POLBTHRBRECQLTDP1
SCHEMBL11172530 0.66 POLB (0.51) L3MBTL1POLBTHRBRECQLTDP1
SCHEMBL8196836 0.66 SMN1; SMN2 (0.59) L3MBTL1POLBTHRBRECQLTDP1
SCHEMBL30209768 0.66 SMN1; SMN2 (0.59) L3MBTL1POLBTHRBRECQLTDP1
SCHEMBL1924430 0.66 ALDH1A1 (0.50) L3MBTL1POLBTHRBRECQLTDP1
SCHEMBL9114220 0.65 TDP1 (0.50) L3MBTL1POLBTHRBRECQLTDP1

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-4243678-A GASTROINTESTINAL DISORDERS, LIVER DISORDERS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1981-01-06 US disclosed