SCHEMBL7786152

SCHEMBL7786152

CCOc1ccc(OCCN2CCOCC2)c2c1-c1c(OCCN3CCOCC3)cccc1C2=O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
BRD4 O60885 1/20 0.48
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
DRD1 P21728 1/20 0.46
DRD4 P21917 1/20 0.46
DRD5 P21918 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
TSHR P16473 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP2D6 P10635 2/20 0.45
USP2 O75604 1/20 0.45
MAOB P27338 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HTR2C P28335 1/20 0.44
HTR2B P41595 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
SCHEMBL7796300 0.94 CYP2D6 (0.52) KDM4ESMN1; SMN2ALDH1A1HTTTSHR
SCHEMBL7796201 0.94 KDM4E (0.54) KDM4EBRD4POLBSMN1; SMN2DRD1
SCHEMBL7792459 0.93 KDM4E (0.51) KDM4EBRD4POLBSMN1; SMN2DRD1
SCHEMBL7795750 0.92 KDM4E (0.50) KDM4EBRD4POLBSMN1; SMN2DRD1
SCHEMBL7792380 0.91 CYP2D6 (0.53) KDM4EBRD4POLBSMN1; SMN2DRD1
SCHEMBL7794702 0.90 KDM4E (0.46) KDM4EBRD4POLBSMN1; SMN2DRD1
SCHEMBL7795930 0.90 KDM4E (0.46) KDM4EBRD4POLBSMN1; SMN2DRD1
SCHEMBL7786139 0.90 ALDH1A1 (0.53) KDM4EPOLBSMN1; SMN2ALDH1A1TSHR
SCHEMBL7786110 0.88 CYP2D6 (0.55) KDM4EPOLBSMN1; SMN2ALDH1A1HTT
SCHEMBL7786359 0.88 ALDH1A1 (0.52) KDM4EPOLBSMN1; SMN2ALDH1A1TSHR

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