SCHEMBL7823819

SCHEMBL7823819

CC(=O)Nc1cccc2c(C(C)=O)c(C)oc12

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.53
GAA P10253 1/20 0.51
ALDH1A1 P00352 4/20 0.49
HPGD P15428 1/20 0.49
MAPT P10636 7/20 0.44
LMNA P02545 3/20 0.44
TP53 P04637 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CXCR2 P25025 1/20 0.42
MAPK1 P28482 2/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 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
SCHEMBL8341717 0.88 GPR35 (0.44) GPR35GAAALDH1A1HPGDMAPT
SCHEMBL7816589 0.85 MAPT (0.44) GPR35GAAALDH1A1HPGDMAPT
SCHEMBL7826306 0.84 GAA (0.45) GPR35GAAALDH1A1MAPTLMNA
SCHEMBL7816264 0.81 TYK2 (0.47) GAAALDH1A1MAPTLMNAMEN1
SCHEMBL7817314 0.81 MAPT (0.43) GPR35GAAALDH1A1MAPTLMNA
SCHEMBL7827793 0.79 JAK1 (0.45) GAAALDH1A1MAPTLMNATP53
SCHEMBL7827508 0.78 GPR35 (0.50) GPR35ALDH1A1HPGDMAPTMEN1
SCHEMBL8342148 0.77 MAPT (0.44) GPR35GAAALDH1A1MAPTLMNA
SCHEMBL7832336 0.76 GAA (0.55) GAAALDH1A1MAPTLMNATP53
SCHEMBL2340722 0.75 GPR35 (0.56) GPR35GAAALDH1A1HPGDMAPT

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-0757682-B1 BENZOFURAN DERIVATIVES USEFUL AS INHIBITORS OF BONE RESORPTION FUJISAWA PHARMACEUTICAL CO (JP) 2001-06-20 EP disclosed
US-5858995-A ADMINISTERING TO HUMANS AND ANIMALS IN THE TREATMENT OF DISEASES CAUSED BY ABNORMAL BONE METABOLISM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-01-12 US disclosed
EP-0757682-A1 BENZOFURAN DERIVATIVES USEFUL AS INHIBITORS OF BONE RESORPTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-12 EP disclosed
WO-1995029907-A1 BENZOFURAN DERIVATIVES USEFUL AS INHIBITORS OF BONE RESORPTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-09 WO disclosed