SCHEMBL8329181

SCHEMBL8329181

COc1ccc(CN2CCCC(CO)C2)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.67
ALDH1A1 P00352 3/20 0.61
POLB P06746 1/20 0.61
GAA P10253 1/20 0.61
HTT P42858 1/20 0.60
CYP2D6 P10635 1/20 0.57
KDM4E B2RXH2 3/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
LMNA P02545 3/20 0.54
ATM Q13315 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL23501044 0.92 MAPT (0.56) MAPTALDH1A1POLBGAAHTT
SCHEMBL7815093 0.88 MAPT (0.58) MAPTALDH1A1POLBGAAHTT
SCHEMBL11076598 0.88 MAPT (0.58) MAPTALDH1A1POLBGAAHTT
SCHEMBL11075907 0.88 MAPT (0.58) MAPTALDH1A1POLBGAAHTT
SCHEMBL8326524 0.87 ALDH1A1 (0.59) MAPTALDH1A1POLBGAAKDM4E
SCHEMBL8323528 0.87 ALDH1A1 (0.59) MAPTALDH1A1POLBGAAKDM4E
Hydrochloric Acid SCHEMBL11076058 0.86 MAPT (0.57) MAPTALDH1A1POLBGAAHTT
SCHEMBL14198699 0.83 MAPT (0.67) MAPTPOLBHTTCYP2D6KDM4E
SCHEMBL9739025 0.80 HTR1A (0.56) MAPT
SCHEMBL16884151 0.79 GAA (0.63) ALDH1A1GAAKDM4EMEN1KMT2A

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