SCHEMBL8322752

SCHEMBL8322752

COC(=O)c1ccc(CCCc2c(O)cccc2OC)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 3/20 0.55
CYP4F2 P78329 2/20 0.54
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.48
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
CYP2C19 P33261 1/20 0.47
CKS1B P61024 1/20 0.47
SKP2 Q13309 1/20 0.47
HIF1A Q16665 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL8325686 0.86 LMNA (0.58) CYP4A11CYP4F2LMNAMAPTRAB9A
SCHEMBL8324027 0.82 MAPT (0.59) CYP4A11CYP4F2LMNAMAPTRAB9A
SCHEMBL8565733 0.78 CYP4A11 (0.54) CYP4A11CYP4F2LMNAMAPTRAB9A
SCHEMBL8319293 0.78 CYP4A11 (0.60) CYP4A11CYP4F2LOXL2ALDH1A1TP53
SCHEMBL8318954 0.77 LMNA (0.63) CYP4A11CYP4F2LMNAMAPTRAB9A
SCHEMBL8676594 0.76 TDP1 (0.54) LMNAMAPTRAB9AL3MBTL1ALDH1A1
SCHEMBL10397856 0.75 MAPT (0.66) CYP4A11CYP4F2LMNAMAPT
SCHEMBL9176869 0.75 MAPT (0.57) LMNAMAPTRAB9AL3MBTL1ALDH1A1
SCHEMBL8977828 0.75 MAPT (0.57) LMNAMAPTRAB9AL3MBTL1LOXL2
SCHEMBL14967232 0.74 L3MBTL1 (0.53) CYP4A11CYP4F2LMNAMAPTRAB9A

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-0733033-B1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LTD (GB) 1999-12-22 EP disclosed
US-5811459-A PAIN RELIEVERS ZENECA LIMITED (GB) 1998-09-22 US disclosed
EP-0733033-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-09-25 EP disclosed