SCHEMBL8323528

SCHEMBL8323528

COc1ccc(CN2CCCC(CCl)C2)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
POLB P06746 1/20 0.59
GAA P10253 1/20 0.59
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
KDM4E B2RXH2 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
LMNA P02545 1/20 0.52
ATM Q13315 1/20 0.52
SIGMAR1 Q99720 1/20 0.51
MAPT P10636 1/20 0.51
PDE2A O00408 1/20 0.51

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
SCHEMBL7809212 0.88 GAA (0.51) ALDH1A1POLBGAAKDM4EMEN1
SCHEMBL11073388 0.88 GAA (0.51) ALDH1A1POLBGAAKDM4EMEN1
SCHEMBL11071315 0.88 GAA (0.51) ALDH1A1POLBGAAKDM4EMEN1
SCHEMBL8329181 0.87 MAPT (0.67) ALDH1A1POLBGAAMAOAMAOB
SCHEMBL8326524 0.87 ALDH1A1 (0.59) ALDH1A1POLBGAAMAOAMAOB
Hydrochloric Acid SCHEMBL11079512 0.86 GAA (0.52) ALDH1A1GAAKDM4EMEN1KMT2A
SCHEMBL9208591 0.84 SIGMAR1 (0.52) GAAMEN1KMT2ASIGMAR1
SCHEMBL23501044 0.79 MAPT (0.56) ALDH1A1POLBGAAKDM4EMEN1
SCHEMBL16884151 0.79 GAA (0.63) ALDH1A1GAAKDM4EMEN1KMT2A
SCHEMBL8327679 0.79 ALDH1A1 (0.53) ALDH1A1POLBGAAMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0760368-B1 PYRIMIDINE DERIVATIVES NISSHIN FLOUR MILLING CO (JP) 1999-07-28 EP disclosed
US-5736550-A TREATMENT OF GASTROINTESTINAL TRACT DISORDERS NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-04-07 US disclosed
EP-0760368-A1 NOVEL PYRIMIDINE DERIVATIVE NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-03-05 EP disclosed