SCHEMBL22273548

SCHEMBL22273548

NC(CCCC(=O)OCc1ccccc1)(CCCC(=O)OCc1ccccc1)CCC(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
MAPK1 P28482 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
HTT P42858 1/20 0.46
KMT2A Q03164 2/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
EPHX2 P34913 1/20 0.42
NOTUM Q6P988 1/20 0.41

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
SCHEMBL22273541 0.97 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1HTTKMT2A
SCHEMBL22273547 0.94 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1HTTKMT2A
SCHEMBL22273546 0.94 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1HTTKMT2A
SCHEMBL7742811 0.94 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1KMT2ALMNA
SCHEMBL22273545 0.92 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1HTTKMT2A
SCHEMBL9555826 0.84 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1HTTKMT2A
SCHEMBL27483377 0.82 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1HTTKMT2A
SCHEMBL27483378 0.82 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1HTTKMT2A
SCHEMBL18673 0.82 ALDH1A1 (0.68) ALDH1A1MAPK1L3MBTL1HTTKMT2A
SCHEMBL3963428 0.82 ALDH1A1 (0.68) ALDH1A1MAPK1L3MBTL1HTTKMT2A

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
WO-2020068796-A9 POLYCARBONATE BLOCK COPOLYMERS AND METHODS THEREOF SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2020-07-30 WO disclosed