SCHEMBL7794755

SCHEMBL7794755

CCCCOc1ccc(OCCCN2CCCC2)c2c1-c1c(OCCCN3CCCC3)cccc1C2=O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.50
CYP2C19 P33261 1/20 0.50
ALDH1A1 P00352 7/20 0.49
L3MBTL1 Q9Y468 4/20 0.49
HTT P42858 1/20 0.49
KDM4E B2RXH2 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
PKM P14618 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HRH3 Q9Y5N1 5/20 0.47
KCNH2 Q12809 1/20 0.47
TRPM2 O94759 1/20 0.47
PARP1 P09874 1/20 0.47
CYP1A2 P05177 1/20 0.45

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
SCHEMBL7792561 0.99 ALDH1A1 (0.50) CYP2D6CYP2C19ALDH1A1L3MBTL1HTT
SCHEMBL7786435 0.95 CYP2D6 (0.50) CYP2D6CYP2C19ALDH1A1L3MBTL1HTT
SCHEMBL7796096 0.95 LTA4H (0.50) CYP2D6CYP2C19ALDH1A1L3MBTL1KDM4E
SCHEMBL7786283 0.94 LTA4H (0.49) ALDH1A1L3MBTL1KDM4EMEN1KMT2A
SCHEMBL7792345 0.94 ALDH1A1 (0.50) CYP2D6CYP2C19ALDH1A1L3MBTL1HTT
SCHEMBL7791766 0.94 CYP2D6 (0.53) CYP2D6CYP2C19ALDH1A1L3MBTL1HTT
SCHEMBL7792602 0.93 ALDH1A1 (0.59) CYP2D6CYP2C19ALDH1A1L3MBTL1HTT
SCHEMBL7792791 0.92 ALDH1A1 (0.57) CYP2D6CYP2C19ALDH1A1L3MBTL1HTT
SCHEMBL27559439 0.91 ALDH1A1 (0.51) CYP2D6CYP2C19ALDH1A1L3MBTL1HTT
SCHEMBL7792228 0.91 ALDH1A1 (0.54) CYP2D6CYP2C19ALDH1A1L3MBTL1HTT

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