SCHEMBL7824539

SCHEMBL7824539

O=C(O)CCCc1cc2cccc([N+](=O)[O-])c2o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.51
GPR35 Q9HC97 1/20 0.45
APEX1 P27695 1/20 0.42
CASP6 P55212 1/20 0.41
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
ATM Q13315 1/20 0.40
CHRNA7 P36544 1/20 0.40
CYP1A2 P05177 2/20 0.40
FBP1 P09467 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
PLCG2 P16885 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38

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
SCHEMBL27831090 0.84 MAOA (0.56) MAOAGPR35APEX1CHRNA7CYP1A2
SCHEMBL31634119 0.79 MAOA (0.56) MAOAGPR35APEX1CASP6HPGD
SCHEMBL7831916 0.79 MAOA (0.50) MAOAGPR35APEX1CHRNA7CYP1A2
SCHEMBL7827121 0.78 MAOA (0.44) MAOALMNAHPGDCHRNA7L3MBTL1
SCHEMBL7831602 0.76 MAOA (0.56) MAOAGPR35APEX1HPGDCHRNA7
SCHEMBL2897463 0.74 GPR35 (0.68) MAOAGPR35APEX1CHRNA7L3MBTL1
SCHEMBL31634037 0.73 MAOA (0.52) MAOAGPR35CHRNA7CYP1A2L3MBTL1
SCHEMBL23804835 0.72 CYP1A2 (0.51) GPR35CASP6CYP1A2NPC1RAB9A
SCHEMBL1352270 0.71 ALDH1A1 (0.53) LMNAHPGDATMCYP1A2L3MBTL1
SCHEMBL4657892 0.71 ALDH1A1 (0.53) LMNAHPGDATMCYP1A2L3MBTL1

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