SCHEMBL4947321

SCHEMBL4947321

COC(=O)CCOc1ccccc1C(=O)OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.57
MAPT P10636 2/20 0.57
HTT P42858 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
GAA P10253 1/20 0.54
ALDH1A1 P00352 5/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.53
CYP2C19 P33261 1/20 0.53
KDM4E B2RXH2 3/20 0.52
SLC6A3 Q01959 1/20 0.51
TSHR P16473 1/20 0.49
LMNA P02545 3/20 0.49
POLB P06746 1/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL3783361 0.89 MAPT (0.56) HSP90AA1MAPTHTTNPSR1MEN1
SCHEMBL19973528 0.87 LMNA (0.66) HSP90AA1MAPTHTTNPSR1MEN1
SCHEMBL3783343 0.83 ALDH1A1 (0.58) HSP90AA1MAPTHTTNPSR1MEN1
SCHEMBL536427 0.83 MAPT (0.59) HSP90AA1MAPTHTTNPSR1MEN1
SCHEMBL6280141 0.83 HSP90AA1 (0.59) HSP90AA1MAPTHTTNPSR1MEN1
SCHEMBL385973 0.83 HSP90AA1 (0.59) HSP90AA1MAPTHTTNPSR1MEN1
SCHEMBL25365376 0.83 NPSR1 (0.63) HSP90AA1MAPTHTTNPSR1MEN1
SCHEMBL4051431 0.82 HSP90AA1 (0.58) HSP90AA1MAPTHTTNPSR1MEN1
SCHEMBL7981719 0.82 MAPT (0.62) HSP90AA1MAPTHTTNPSR1MEN1
SCHEMBL2389931 0.82 HSP90AA1 (0.58) HSP90AA1MAPTHTTNPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951260-A2 FUNCTIONALIZED PHENOLIC COMPOUNDS AND ABSORBABLE THEREFROM Bezwada Biomedical LLC (US) 2008-08-06 EP disclosed
EP-1931334-A2 FUNCTIONALIZED DRUGS AND POLYMERS DERIVED THEREFROM Bezwada Biomedical LLC (US) 2008-06-18 EP disclosed
WO-2007053794-A2 FUNCTIONALIZED PHENOLIC COMPOUNDS AND ABSORBABLE THEREFROM BEZWADA BIOMEDICAL LLC (US) 2007-05-10 WO disclosed
WO-2007030538-A2 FUNCTIONALIZED DRUGS AND POLYMERS DERIVED THEREFROM BEZWADA BIOMEDICAL LLC (US) 2007-03-15 WO disclosed