SCHEMBL7828085

SCHEMBL7828085

Cc1ccc(C)n1-c1cccc2c3c(oc12)CCCC3

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 4/20 0.39
▸ TSHR P16473 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ GAA P10253 3/20 0.38
▸ MAPT P10636 6/20 0.36
▸ TP53 P04637 4/20 0.36
▸ THRB P10828 1/20 0.36
▸ MAOA P21397 3/20 0.35
▸ MAOB P27338 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPSR1 Q6W5P4 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ NPC1 O15118 1/20 0.33

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
SCHEMBL13509570 0.79 MAPK1 (0.46) HTTTSHRMAPK1GAAMAPT
SCHEMBL25772236 0.77 MAPK1 (0.45) HTTTSHRMAPK1GAAMAPT
SCHEMBL7827778 0.72 MAPT (0.47) HTTTSHRMAPTTP53THRB
SCHEMBL7817025 0.70 CYP3A4 (0.39) HTTTSHRMAPK1GAAMAPT
SCHEMBL7817822 0.70 CYP1A2 (0.39) HTTTSHRMAPK1GAAMAPT
SCHEMBL31424235 0.66 KMT2A (0.46) HTTTSHRMAPK1MAPTTP53
SCHEMBL9105486 0.66 KMT2A (0.46) HTTTSHRMAPK1MAPTTP53
SCHEMBL7444529 0.66 GFER (0.50) MAPK1MAPTNPSR1ALDH1A1LMNA
SCHEMBL7246837 0.64 ALDH1A1 (0.35) HTTTSHRMAPK1MAPTMAOA
SCHEMBL15588491 0.63 KDM4E (0.45) HTTTSHRMAPTKDM4EMEN1

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
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