SCHEMBL7826124

SCHEMBL7826124

CC(=O)CCc1c(C)oc2c([N+](=O)[O-])cccc12

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.60
L3MBTL1 Q9Y468 4/20 0.60
MAPT P10636 3/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
PKM P14618 1/20 0.60
GPR35 Q9HC97 1/20 0.45
FBP1 P09467 3/20 0.42
TDP1 Q9NUW8 4/20 0.39
TSHR P16473 3/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 2/20 0.37
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
THRB P10828 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL7817261 0.82 GPR35 (0.47) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL7829809 0.80 TDP1 (0.44) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL7827473 0.80 TDP1 (0.44) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL7822767 0.79 HPGD (0.42) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL7816604 0.78 GPR35 (0.43) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL8344224 0.77 TDP1 (0.42) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL8342857 0.77 GAA (0.50) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL8799151 0.76 GPR35 (0.41) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL7831949 0.76 L3MBTL1 (0.43) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL7828666 0.75 ALDH1A1 (0.47) ALDH1A1L3MBTL1MAPTMEN1KMT2A

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
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
WO-1995029907-A1 BENZOFURAN DERIVATIVES USEFUL AS INHIBITORS OF BONE RESORPTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-09 WO disclosed