SCHEMBL6587548

SCHEMBL6587548

COc1cc(/C=C/C2OCCO2)ccc1OCc1nc(-c2ccccc2)oc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
GAA P10253 1/20 0.45
KDR P35968 1/20 0.44
MAPT P10636 4/20 0.43
APP P05067 4/20 0.41
FFAR1 O14842 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PPARG P37231 3/20 0.40
PPARA Q07869 3/20 0.40
HRH3 Q9Y5N1 1/20 0.39
TP53 P04637 1/20 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
SCHEMBL6587553 1.00 POLB (0.45) POLBGAAKDRMAPTAPP
SCHEMBL6157314 0.83 ALDH1A1 (0.54) POLBKDRMAPTFFAR1KDM4E
SCHEMBL6583241 0.82 TRPA1 (0.48) POLBKDRMAPTAPPFFAR1
SCHEMBL6583243 0.82 TRPA1 (0.48) POLBKDRMAPTAPPFFAR1
SCHEMBL6583468 0.81 MAPT (0.47) POLBKDRMAPTAPPFFAR1
SCHEMBL6583466 0.81 MAPT (0.47) POLBKDRMAPTAPPFFAR1
SCHEMBL6583665 0.80 KDR (0.49) POLBGAAKDRMAPTAPP
SCHEMBL6583671 0.80 KDR (0.49) POLBGAAKDRMAPTAPP
SCHEMBL6587340 0.79 MAPT (0.49) POLBKDRMAPTAPPFFAR1
SCHEMBL6587331 0.79 MAPT (0.49) POLBKDRMAPTAPPFFAR1

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-0710659-B1 Oxazolidinedione derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-01-28 EP disclosed
EP-0710659-A1 Oxazolidinedione derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-05-08 EP disclosed