SCHEMBL6982352

SCHEMBL6982352

CC(=O)Oc1ccc(C2OC2c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.58
MAPT P10636 4/20 0.54
GAA P10253 3/20 0.54
ALDH1A1 P00352 1/20 0.54
HSP90AA1 P07900 1/20 0.54
LMNA P02545 2/20 0.50
NPSR1 Q6W5P4 2/20 0.48
KDM4E B2RXH2 2/20 0.48
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ATM Q13315 1/20 0.47
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
PTPN1 P18031 1/20 0.44
MAPK1 P28482 1/20 0.44
BACE1 P56817 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43

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
SCHEMBL4454162 0.94 LMNA (0.55) ELANEMAPTGAAALDH1A1HSP90AA1
SCHEMBL4454157 0.94 LMNA (0.55) ELANEMAPTGAAALDH1A1HSP90AA1
SCHEMBL4454166 0.94 LMNA (0.55) ELANEMAPTGAAALDH1A1HSP90AA1
SCHEMBL918946 0.86 LMNA (0.50) ELANEMAPTGAAALDH1A1HSP90AA1
SCHEMBL7410333 0.83 ELANE (0.50) ELANEMAPTGAAALDH1A1HSP90AA1
SCHEMBL8913760 0.78 ELANE (0.53) ELANEMAPTGAAALDH1A1HSP90AA1
SCHEMBL8846112 0.78 ELANE (0.53) ELANEMAPTGAAALDH1A1HSP90AA1
SCHEMBL8913776 0.78 ELANE (0.53) ELANEMAPTGAAALDH1A1HSP90AA1
SCHEMBL8846101 0.78 ELANE (0.53) ELANEMAPTGAAALDH1A1HSP90AA1
SCHEMBL8846105 0.78 ELANE (0.53) ELANEMAPTGAAALDH1A1HSP90AA1

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
EP-0724569-B1 PROCESS FOR THE PREPARATION OF AN OXIRANE, AZIRIDINE OR CYCLOPROPANE AVECIA LTD (GB) 2003-03-12 EP disclosed
US-5703246-A REACTING AN ORGANOMETALLIC COMPOUND WITH ORGANOSULFUR COMPOUND ZENECA LIMITED (GB) 1997-12-30 US disclosed
EP-0724569-A1 PROCESS FOR THE PREPARATION OF AN OXIRANE, AZIRIDINE OR CYCLOPROPANE ZENECA LIMITED (GB) 1996-08-07 EP disclosed
WO-1995011230-A1 PROCESS FOR THE PREPARATION OF AN OXIRANE, AZIRIDINE OR CYCLOPROPANE ZENECA LIMITED (GB) 1995-04-27 WO disclosed