SCHEMBL8417754

SCHEMBL8417754

C=CCc1cc(Br)ccc1OC(CC)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
PPARA Q07869 1/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.40
PTGDR Q13258 1/20 0.40
KDM4E B2RXH2 5/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ELANE P08246 1/20 0.38
ALDH1A1 P00352 2/20 0.38
ALOX5 P09917 1/20 0.37
PTPN1 P18031 1/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL4812741 0.86 SMN1; SMN2 (0.48) SMN1; SMN2PPARAPTGDR2KDM4ELMNA
SCHEMBL8935855 0.81 KDM4E (0.45) SMN1; SMN2KDM4EL3MBTL1LMNAALDH1A1
SCHEMBL8935860 0.81 KDM4E (0.45) SMN1; SMN2KDM4EL3MBTL1LMNAALDH1A1
SCHEMBL27971306 0.79 SMN1; SMN2 (0.51) SMN1; SMN2PPARAPTGDR2L3MBTL1MAPK1
SCHEMBL4816920 0.78 PPARA (0.59) SMN1; SMN2PPARAPTGDR2KDM4ELMNA
SCHEMBL2882636 0.77 PTGDR2 (0.56) SMN1; SMN2PPARAPTGDR2KDM4EL3MBTL1
SCHEMBL21057134 0.77 PPARA (0.49) SMN1; SMN2PPARAPTGDR2
SCHEMBL21057144 0.77 PPARA (0.50) SMN1; SMN2PPARAKDM4EL3MBTL1LMNA
SCHEMBL21057136 0.77 SMN1; SMN2 (0.47) SMN1; SMN2PPARAPTGDR2LMNAMEN1
SCHEMBL21057133 0.77 SMN1; SMN2 (0.47) SMN1; SMN2PPARAPTGDR2LMNAMEN1

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