SCHEMBL7786153

SCHEMBL7786153

CCCOc1cc(OCCC)c2c(c1)C(=O)c1cccc(OCCN3CCOCC3)c1-2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
MAPK14 Q16539 1/20 0.45
BRD4 O60885 1/20 0.45
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 1/20 0.45
HTT P42858 1/20 0.45
CYP1A2 P05177 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
HTR2A P28223 1/20 0.44
MAPK1 P28482 1/20 0.44
SCN1A P35498 1/20 0.44
HTR2B P41595 1/20 0.44
KCNH2 Q12809 1/20 0.44
SCN2A Q99250 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
SCN3A Q9NY46 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44

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
SCHEMBL7796357 1.00 KDM4E (0.47) KDM4EMAPK14BRD4ALDH1A1NPC1
SCHEMBL7792601 0.97 KDM4E (0.47) KDM4EMAPK14BRD4ALDH1A1NPC1
SCHEMBL7786514 0.96 TSHR (0.46) KDM4EMAPK14ALDH1A1HTR2BTSHR
SCHEMBL7792180 0.96 KDM4E (0.48) KDM4EMAPK14BRD4ALDH1A1HTT
Hydrochloric Acid SCHEMBL7792093 0.95 ALDH1A1 (0.45) KDM4EALDH1A1MAPK1HTR2BTSHR
SCHEMBL7795911 0.95 ALDH1A1 (0.52) KDM4EMAPK14ALDH1A1NPC1HTT
SCHEMBL7796393 0.95 ALDH1A1 (0.52) KDM4EALDH1A1HTTCYP1A2CHRM2
SCHEMBL7796256 0.94 CHEK1 (0.49) KDM4EBRD4ALDH1A1HTR2BTSHR
SCHEMBL7792176 0.94 KDM4E (0.50) KDM4EMAPK14BRD4ALDH1A1NPC1
SCHEMBL27495974 0.92 KDM4E (0.45) KDM4EBRD4ALDH1A1HTTADORA3

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-0906268-B1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS AVENTIS PHARMA INC (US) 2001-11-28 EP disclosed
US-6004959-A HYPOTENSIVE, ANTITUMOR, ANTIINFLAMMATORY AND ANTIASTHMATIC AGENTS; ANGIOGENESIS AND ALVEOLAR MACROPHAGE ACTIVATION INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1999-12-21 US disclosed
EP-0906268-A1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1999-04-07 EP disclosed
WO-1997045397-A1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1997-12-04 WO disclosed