SCHEMBL7827399

SCHEMBL7827399

CCN(CC)c1c(C)oc2c(N)cccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.34
TSHR P16473 4/20 0.33
CYP3A4 P08684 3/20 0.33
ALDH1A1 P00352 3/20 0.33
ELANE P08246 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 1/20 0.33
PIK3CA P42336 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
PSMD14 O00487 1/20 0.32
MAPK1 P28482 1/20 0.32
RECQL P46063 1/20 0.32
GFER P55789 1/20 0.32
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PSMB8 P28062 1/20 0.30

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
SCHEMBL6590934 0.73 CYP3A4 (0.46) TSHRCYP3A4ALDH1A1ELANETDP1
SCHEMBL7655945 0.72 ALDH1A1 (0.44) S100BTSHRCYP3A4ALDH1A1TDP1
SCHEMBL7829502 0.70 ALDH1A1 (0.39) TSHRCYP3A4ALDH1A1ELANETDP1
SCHEMBL7826135 0.70 ALDH1A1 (0.35) TSHRCYP3A4ALDH1A1ELANETDP1
SCHEMBL5514568 0.70 CD44 (0.46) S100BTSHRCYP3A4ALDH1A1TDP1
SCHEMBL8800220 0.69 CYP3A4 (0.35) TSHRCYP3A4ALDH1A1ELANETDP1
SCHEMBL7831210 0.69 GAA (0.40) CYP3A4ALDH1A1ELANEHPGDHSD17B10
SCHEMBL7815658 0.68 CYP3A4 (0.40) TSHRCYP3A4ALDH1A1ELANETDP1
SCHEMBL7817646 0.68 GAA (0.39) TSHRCYP3A4ALDH1A1ELANEHPGD
SCHEMBL21963707 0.68 CA2 (0.39) TSHRCYP3A4ALDH1A1ELANETDP1

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