SCHEMBL7828666

SCHEMBL7828666

CCCC(=O)c1c(C)oc2c([N+](=O)[O-])cccc12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PKM P14618 1/20 0.47
GPR35 Q9HC97 1/20 0.46
TDP1 Q9NUW8 3/20 0.41
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
FBP1 P09467 1/20 0.39
TSHR P16473 1/20 0.38
LMNA P02545 3/20 0.37
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 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
SCHEMBL7816217 0.91 GPR35 (0.47) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL7817267 0.87 GPR35 (0.46) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL8341921 0.84 GPR35 (0.46) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL8342857 0.83 GAA (0.50) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL8800071 0.81 GPR35 (0.43) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL7816879 0.80 GPR35 (0.50) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL9486017 0.78 CYP2C19 (0.56) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL7817646 0.78 GAA (0.39) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL7826454 0.77 GPR35 (0.44) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL7826452 0.77 GPR35 (0.44) 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