SCHEMBL7794812

SCHEMBL7794812

CCCOc1cc(OCCC)c2c(c1)C(=O)c1cccc(OCCCN3CCCCC3)c1-2

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.49
HRH3 Q9Y5N1 5/20 0.48
KCNH2 Q12809 1/20 0.48
KDM4E B2RXH2 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 4/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
PKM P14618 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
SCHEMBL7786477 1.00 MET (0.49) METHRH3KCNH2KDM4EL3MBTL1
SCHEMBL7786234 0.99 MET (0.50) METHRH3KCNH2KDM4EL3MBTL1
SCHEMBL7786388 0.99 MET (0.50) METHRH3KCNH2KDM4EL3MBTL1
SCHEMBL27559443 0.98 MET (0.48) METHRH3KCNH2KDM4EL3MBTL1
SCHEMBL7795718 0.96 HRH3 (0.51) METHRH3KCNH2KDM4EL3MBTL1
SCHEMBL7795838 0.95 HRH3 (0.46) HRH3KDM4EALDH1A1
SCHEMBL7786120 0.95 HRH3 (0.46) HRH3KDM4EALDH1A1
SCHEMBL7792451 0.95 HRH3 (0.49) METHRH3KCNH2KDM4EL3MBTL1
SCHEMBL7786085 0.94 ALDH1A1 (0.53) METHRH3KCNH2KDM4EL3MBTL1
SCHEMBL7792327 0.94 KDM4E (0.47) HRH3KDM4EALDH1A1

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