SCHEMBL4786598

SCHEMBL4786598

COc1cccc(C2=CCN(CC(O)COc3cc(Br)cc4c3OC(C)(C)C4)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
PRMT5 O14744 12/20 0.46
WDR77 Q9BQA1 12/20 0.46
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TP53 P04637 2/20 0.40

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
SCHEMBL4788712 0.91 LMNA (0.49) GAAKDM4EALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL4753150 0.73 GAA (0.45) GAAPRMT5WDR77
SCHEMBL4750479 0.73 MAPT (0.56) GAAKDM4EALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL4788651 0.72 GAA (0.57) GAAKDM4EALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL4788366 0.71 GAA (0.78) GAAKDM4EALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL4788931 0.70 GAA (0.53) GAAKDM4EALDH1A1LMNAMAPT
SCHEMBL7854831 0.70 LMNA (0.58) GAAKDM4EALDH1A1LMNAMAPT
SCHEMBL7861680 0.68 TSHR (0.73) GAAKDM4EALDH1A1LMNAMAPT
SCHEMBL7854934 0.66 LMNA (0.67) GAAKDM4EALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL4787601 0.66 OPRL1 (0.59) GAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008146064-A1 NEW BENZOFURAN DERIVATIVES AS SELECTIVE 5HT7 RECEPTOR INHIBITORS AND PROCESS FOR THEIR PREPARATION EGIS GYÓGYSZERGYÁR (HU) 2008-12-04 WO disclosed