SCHEMBL7796201

SCHEMBL7796201

CCOc1cccc2c1-c1c(OCCN3CCOCC3)cccc1C2=O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
BRD4 O60885 1/20 0.50
POLB P06746 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
DRD1 P21728 1/20 0.48
DRD4 P21917 1/20 0.48
DRD5 P21918 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
CYP2D6 P10635 2/20 0.47
USP2 O75604 1/20 0.47
MAOB P27338 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TSHR P16473 1/20 0.47
FLT3 P36888 1/20 0.46
MAPK14 Q16539 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
SCHEMBL7786152 0.94 KDM4E (0.51) KDM4EBRD4POLBSMN1; SMN2DRD1
SCHEMBL7786110 0.94 CYP2D6 (0.55) KDM4EPOLBSMN1; SMN2ALDH1A1HTT
SCHEMBL7792104 0.92 KDM4E (0.50) KDM4EBRD4ALDH1A1HTTMAOB
SCHEMBL7792176 0.92 KDM4E (0.50) KDM4EBRD4ALDH1A1HTTMAOB
SCHEMBL7796344 0.92 MAPK1 (0.53) KDM4EBRD4POLBSMN1; SMN2DRD1
SCHEMBL7792479 0.91 CHEK1 (0.49) KDM4EBRD4SMN1; SMN2ALDH1A1HTT
SCHEMBL7786453 0.90 CYP2D6 (0.56) KDM4EBRD4POLBSMN1; SMN2DRD1
SCHEMBL7792601 0.90 KDM4E (0.47) KDM4EBRD4ALDH1A1HTTTSHR
SCHEMBL7795904 0.89 ALDH1A1 (0.57) KDM4EPOLBSMN1; SMN2ALDH1A1HTT
SCHEMBL7796300 0.89 CYP2D6 (0.52) KDM4ESMN1; SMN2ALDH1A1HTTL3MBTL1

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