SCHEMBL16728237

SCHEMBL16728237

CCOC(=O)COc1ccc(C(=O)c2ccc(OCC=O)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.55
GAA P10253 2/20 0.55
HPGD P15428 2/20 0.51
POLB P06746 2/20 0.48
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.45
TBXAS1 P24557 1/20 0.44
PTPN1 P18031 1/20 0.44

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
SCHEMBL9369303 0.93 GAA (0.62) NPSR1GAAHPGDPOLBMAPT
SCHEMBL16035326 0.89 NPSR1 (0.66) NPSR1GAAHPGDPOLBMAPT
SCHEMBL16090177 0.84 NPSR1 (0.59) NPSR1GAAHPGDPOLBMAPT
SCHEMBL9064154 0.84 HPGD (0.69) NPSR1GAAHPGDPOLBMAPT
SCHEMBL21991775 0.82 GAA (0.57) NPSR1GAAHPGDPOLBMAPT
SCHEMBL9374393 0.80 CA12 (0.56) GAAHPGDMAPTLMNASMN1; SMN2
SCHEMBL15946457 0.80 GAA (0.51) NPSR1GAAHPGDPOLBMAPT
SCHEMBL8421528 0.79 SMN1; SMN2 (0.61) NPSR1GAAHPGDPOLBMAPT
SCHEMBL11617860 0.79 GAA (0.60) NPSR1GAAHPGDPOLBMAPT
SCHEMBL18120962 0.79 NPSR1 (0.54) NPSR1GAAHPGDPOLBMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9719979-B2 Methods of identifying crosslinking molecules for polymers SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2017-08-01 US disclosed
US-20160290986-A1 METHODS OF IDENTIFYING CROSSLINKING MOLECULES FOR POLYMERS SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2016-10-06 US disclosed
WO-2015073847-A1 METHODS OF IDENTIFYING CROSSLINKING MOLECULES FOR POLYMERS SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2015-05-21 WO disclosed