SCHEMBL7795718

SCHEMBL7795718

CCCCOc1cc(OCCCN2CCCCC2)cc2c1-c1c(OCCCN3CCCCC3)cccc1C2=O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.51
KCNH2 Q12809 1/20 0.51
KDM4E B2RXH2 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.47
MET P08581 1/20 0.47
MEN1 O00255 1/20 0.47
PKM P14618 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL7792451 0.99 HRH3 (0.49) HRH3KCNH2KDM4EL3MBTL1ALDH1A1
SCHEMBL7794812 0.96 MET (0.49) HRH3KCNH2KDM4EL3MBTL1ALDH1A1
SCHEMBL7786477 0.96 MET (0.49) HRH3KCNH2KDM4EL3MBTL1ALDH1A1
SCHEMBL7792464 0.96 LTA4H (0.51) HRH3KCNH2KDM4EALDH1A1
SCHEMBL7792044 0.95 LTA4H (0.52) HRH3KCNH2KDM4EALDH1A1
SCHEMBL7786234 0.95 MET (0.50) HRH3KCNH2KDM4EL3MBTL1ALDH1A1
SCHEMBL7786388 0.95 MET (0.50) HRH3KCNH2KDM4EL3MBTL1ALDH1A1
SCHEMBL27559443 0.94 MET (0.48) HRH3KCNH2KDM4EL3MBTL1ALDH1A1
SCHEMBL7786085 0.94 ALDH1A1 (0.53) HRH3KCNH2KDM4EL3MBTL1ALDH1A1
SCHEMBL7794779 0.93 L3MBTL1 (0.54) HRH3KCNH2KDM4EL3MBTL1ALDH1A1

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