SCHEMBL5352573

SCHEMBL5352573

O=C1OC2(CCCCCCC2)CC1O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
HSD11B1 P28845 2/20 0.30

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
SCHEMBL4611119 1.00 KDM4E (0.33) KDM4EHTTATMALDH1A1LMNA
SCHEMBL4612169 0.98 LMNA (0.32) KDM4EHTTATMLMNATSHR
SCHEMBL7294281 0.77 KDM4E (0.33) KDM4EHTTATM
SCHEMBL7287901 0.77 KDM4E (0.33) KDM4EHTTATM
SCHEMBL12440638 0.75 KDM4E (0.36) KDM4EHTTATMALDH1A1
SCHEMBL10597112 0.75 KDM4E (0.33) KDM4EHTTATM
SCHEMBL13292098 0.72 TSHR (0.36) ALDH1A1LMNATSHRHSD11B1
SCHEMBL17954008 0.70 OPRK1 (0.36) KDM4EHTTATMALDH1A1
SCHEMBL13292092 0.69 HSD11B1 (0.35) LMNATSHRHSD11B1
SCHEMBL5665984 0.67

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7183423-B1 Process for the preparation of organic compounds with imide catalysts DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-02-27 US disclosed
EP-1055654-A1 PROCESS FOR THE PREPARATION OF ORGANIC COMPOUNDS WITH IMIDE CATALYSTS Daicel Chemical Industries, Ltd. (JP) 2000-11-29 EP disclosed