SCHEMBL7828174

SCHEMBL7828174

Cc1oc2c(N)cccc2c1C(C)(C)O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.34
TSHR P16473 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
KEAP1 Q14145 1/20 0.34
ELANE P08246 1/20 0.34
PIK3CA P42336 1/20 0.33
TTR P02766 1/20 0.32
NSD2 O96028 2/20 0.31
PSMB8 P28062 1/20 0.31
CD44 P16070 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL7829524 0.83 SMN1; SMN2 (0.37) CYP3A4TSHRALDH1A1HPGDHSD17B10
SCHEMBL8799546 0.76 ALDH1A1 (0.39) ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL6590934 0.74 CYP3A4 (0.46) CYP3A4TSHRALDH1A1HPGDHSD17B10
SCHEMBL7827508 0.73 GPR35 (0.50) ALDH1A1HPGDKDM4E
SCHEMBL7829502 0.72 ALDH1A1 (0.39) CYP3A4TSHRALDH1A1HPGDHSD17B10
SCHEMBL7826135 0.71 ALDH1A1 (0.35) CYP3A4TSHRALDH1A1HPGDHSD17B10
SCHEMBL7832336 0.70 GAA (0.55) CYP3A4ALDH1A1HSD17B10ELANE
SCHEMBL24254913 0.69 ALDH1A1 (0.55) CYP3A4TSHRALDH1A1HPGDHSD17B10
SCHEMBL1772150 0.69 CD44 (0.48) CYP3A4TSHRALDH1A1HPGDHSD17B10
SCHEMBL23938618 0.68 CYP3A4 (0.35) CYP3A4TSHRALDH1A1HPGDHSD17B10

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