SCHEMBL8418482

SCHEMBL8418482

C=CCc1cc(OC(=O)CC)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.50
GABRB2 P47870 4/20 0.50
POLB P06746 2/20 0.48
ACHE P22303 2/20 0.44
ESR1 P03372 2/20 0.44
HIF1A Q16665 2/20 0.44
KMT2A Q03164 2/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
PTPN1 P18031 3/20 0.42
MEN1 O00255 1/20 0.41
ALOX5 P09917 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
GABRB1 P18505 1/20 0.41
RXRA P19793 1/20 0.41

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
SCHEMBL9748866 0.86 GABRA1 (0.54) GABRA1GABRB2POLBACHEKMT2A
SCHEMBL27460470 0.86 GABRA1 (0.47) GABRA1GABRB2POLBKMT2AALDH1A1
SCHEMBL11218284 0.83 KDM4E (0.44) GABRA1GABRB2POLBACHEESR1
SCHEMBL9614914 0.78 GABRA1 (0.56) GABRA1GABRB2POLBKMT2AALDH1A1
SCHEMBL8417673 0.78 PTPN1 (0.59) GABRA1GABRB2POLBSMN1; SMN2ALDH1A1
SCHEMBL335296 0.78 GABRA1 (0.59) GABRA1GABRB2POLBKMT2ASMN1; SMN2
SCHEMBL28963597 0.78 MTNR1A (0.48) ACHEESR1HIF1AKMT2ARECQL
SCHEMBL1951863 0.77 GABRA1 (0.63) GABRA1GABRB2POLBKMT2AALDH1A1
SCHEMBL30968733 0.77 KMT2A (0.55) ACHEESR1HIF1AKMT2ARECQL
SCHEMBL1681252 0.77 KMT2A (0.55) ACHEESR1HIF1AKMT2ARECQL

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
US-5919793-A QUINUCLIDINE DERIVATIVES, SQUALENE SYNTHETASE INHIBITORS, ANTICHOLESTEROL AGENTS ZENECA LIMITED (GB) 1999-07-06 US 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