SCHEMBL7796433

SCHEMBL7796433

CCOc1cc(OCCCN2CCOCC2)cc2c1-c1c(OCCCN3CCOCC3)cccc1C2=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 3/20 0.55
HTT P42858 1/20 0.55
MAPK1 P28482 2/20 0.49
CYP1A2 P05177 1/20 0.49
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
HTR2A P28223 1/20 0.49
SCN1A P35498 1/20 0.49
HTR2B P41595 1/20 0.49
KCNH2 Q12809 1/20 0.49
SCN2A Q99250 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
SCN3A Q9NY46 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
USP2 O75604 2/20 0.48
TSHR P16473 2/20 0.48
CYP2D6 P10635 1/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL7786215 0.98 KDM4E (0.55) ALDH1A1KDM4EHTTMAPK1CYP1A2
SCHEMBL7792176 0.95 KDM4E (0.50) ALDH1A1KDM4EHTTTSHR
SCHEMBL7796393 0.94 ALDH1A1 (0.52) ALDH1A1KDM4EHTTMAPK1CYP1A2
SCHEMBL7786133 0.94 ALDH1A1 (0.58) ALDH1A1KDM4EHTTMAPK1CYP1A2
SCHEMBL7792104 0.93 KDM4E (0.50) ALDH1A1KDM4EHTT
SCHEMBL7786110 0.93 CYP2D6 (0.55) ALDH1A1KDM4EHTTMAPK1CYP1A2
SCHEMBL7792601 0.92 KDM4E (0.47) ALDH1A1KDM4EHTTTSHR
SCHEMBL7786493 0.92 TSHR (0.57) ALDH1A1KDM4EHTTMAPK1CYP1A2
SCHEMBL7794779 0.91 L3MBTL1 (0.54) ALDH1A1KDM4EHTTKCNH2HRH3
SCHEMBL7795911 0.90 ALDH1A1 (0.52) ALDH1A1KDM4EHTTMAPK1CYP1A2

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
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