SCHEMBL6661925

SCHEMBL6661925

O=C1C=CO[C@@H]1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.41
CTRB1 P17538 1/20 0.39
FASN P49327 1/20 0.38
EP300 Q09472 1/20 0.36
MAOB P27338 1/20 0.36
GRM2 Q14416 1/20 0.36
MDM2 Q00987 4/20 0.35
F2 P00734 2/20 0.35
PRSS1 P07477 2/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
PSEN1 P49768 2/20 0.35
PSEN2 P49810 2/20 0.35
APH1B Q8WW43 2/20 0.35
NCSTN Q92542 2/20 0.35
APH1A Q96BI3 2/20 0.35
PSENEN Q9NZ42 2/20 0.35

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
SCHEMBL8985661 0.73 TLR9 (0.32) TLR9
SCHEMBL7629569 0.73 CTRB1 (0.53) TLR9CTRB1FASNEP300MAOB
SCHEMBL2858795 0.71 CTRB1 (0.52) TLR9CTRB1FASNEP300MAOB
SCHEMBL14635989 0.69 GRM2 (0.43) TLR9CTRB1MAOBGRM2F2
SCHEMBL5973542 0.69
SCHEMBL5973734 0.69
SCHEMBL5967437 0.68 TLR9 (0.40) TLR9CTRB1FASNEP300MAOB
SCHEMBL6206465 0.68 TLR9 (0.40) TLR9CTRB1FASNEP300MAOB
SCHEMBL901336 0.67
SCHEMBL6047373 0.67 MAOB (0.40) TLR9CTRB1FASNMAOBGRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1434580-A2 ALLYLAMIDES USEFUL IN THE TREATMENT OF ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-07-07 EP disclosed
WO-2003030886-A2 ALLYLAMIDES USEFUL IN THE TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC (US) 2003-04-17 WO disclosed