SCHEMBL10592149

SCHEMBL10592149

CCOC(=O)c1cc(OCCN2CCCCCC2)cc2c(OCC3CCCCC3)cccc12

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
KCNH2 Q12809 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
ESR1 P03372 3/20 0.42
ESR2 Q92731 1/20 0.42
NMT2 O60551 1/20 0.42
NMT1 P30419 1/20 0.42
CACNA1F O60840 5/20 0.42
CACNA1D Q01668 5/20 0.42
CACNA1S Q13698 5/20 0.42
CACNA1C Q13936 5/20 0.42

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
SCHEMBL10526571 0.84 NMT2 (0.44) KDM4EKCNH2HRH3ESR1ESR2
SCHEMBL10593191 0.73 PTPN1 (0.50) KDM4EKCNH2HRH3NMT2NMT1
Hydrochloric Acid SCHEMBL10527368 0.72 PTPN1 (0.49) KDM4EKCNH2HRH3NMT2NMT1
SCHEMBL9788513 0.69 NMT2 (0.47) KDM4EKCNH2HRH3ESR1ESR2
SCHEMBL10390759 0.69 IRAK4 (0.49)
SCHEMBL9788511 0.69 ALDH1A1 (0.52) KDM4ENMT2NMT1
SCHEMBL228881 0.68 KCNH2 (0.81) KDM4EKCNH2HRH3ESR1ESR2
SCHEMBL223800 0.68 KCNH2 (0.81) KDM4EKCNH2HRH3ESR1ESR2
SCHEMBL21408440 0.68 KDM4E (0.61) KDM4EKCNH2HRH3ESR1ESR2
Hydrochloric Acid SCHEMBL9788506 0.68 NMT2 (0.46) KDM4EKCNH2HRH3ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0347932-A2 Treatment of conditions requiring enhanced oxygen availability to mammalian tissues RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-12-27 EP claimed