SCHEMBL8418563

SCHEMBL8418563

C=CCc1cc(CCC(C)=O)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.51
GABRB2 P47870 5/20 0.51
MAPT P10636 3/20 0.49
POLB P06746 2/20 0.49
MEN1 O00255 2/20 0.49
GAA P10253 2/20 0.49
CNR1 P21554 2/20 0.49
CNR2 P34972 2/20 0.49
KMT2A Q03164 2/20 0.49
ALOX5 P09917 2/20 0.49
GABRB1 P18505 1/20 0.49
RXRA P19793 1/20 0.49
GABRA5 P31644 1/20 0.49
GABRA3 P34903 1/20 0.49
GABRA2 P47869 1/20 0.49
ACE2 Q9BYF1 1/20 0.49
SIRT3 Q9NTG7 1/20 0.49
XDH P47989 1/20 0.45
HTT P42858 2/20 0.44
BACE1 P56817 1/20 0.44

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
SCHEMBL8418481 0.86 GABRA1 (0.53) GABRA1GABRB2MAPTPOLBMEN1
SCHEMBL8418501 0.85 GABRA1 (0.51) GABRA1GABRB2MAPTPOLBMEN1
SCHEMBL9573740 0.84 IAPP (0.64) GABRA1GABRB2MAPTPOLBMEN1
SCHEMBL4889219 0.84 GABRA1 (0.47) GABRA1GABRB2MAPTPOLBMEN1
SCHEMBL20840187 0.84 GABRA1 (0.66) GABRA1GABRB2MAPTPOLBMEN1
SCHEMBL8418573 0.82 FDFT1 (0.52) GABRA1GABRB2MAPTPOLBMEN1
SCHEMBL27436175 0.82 GABRA1 (0.45) GABRA1GABRB2MAPTPOLBMEN1
SCHEMBL3415131 0.81 PKM (0.59) GABRA1GABRB2MAPTGAAALOX5
SCHEMBL1244158 0.81 GABRA1 (0.58) GABRA1GABRB2MAPTPOLBMEN1
SCHEMBL9436388 0.80 GABRA1 (0.61) GABRA1GABRB2MAPTPOLBMEN1

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
US-5919793-A QUINUCLIDINE DERIVATIVES, SQUALENE SYNTHETASE INHIBITORS, ANTICHOLESTEROL AGENTS ZENECA LIMITED (GB) 1999-07-06 US disclosed
CN-1121718-A Heterocyclic derivatives ZENECA LTD (GB) 1996-05-01 CN disclosed
EP-0696284-A1 HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1996-02-14 EP disclosed
WO-1994025459-A1 HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1994-11-10 WO disclosed