SCHEMBL7786170

SCHEMBL7786170

CCOc1cc(OCC)c2c(c1)C(=O)c1cccc(OCCCN3CCCC3)c1-2

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
L3MBTL1 Q9Y468 4/20 0.54
TSHR P16473 1/20 0.51
KDM4E B2RXH2 4/20 0.47
HTT P42858 2/20 0.47
MET P08581 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
HRH3 Q9Y5N1 2/20 0.45
MEN1 O00255 1/20 0.45
PKM P14618 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
KCNH2 Q12809 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
SCHEMBL27559437 0.99 ALDH1A1 (0.53) ALDH1A1L3MBTL1TSHRKDM4EHTT
SCHEMBL7792137 0.99 ALDH1A1 (0.53) ALDH1A1L3MBTL1TSHRKDM4EHTT
SCHEMBL7794779 0.98 L3MBTL1 (0.54) ALDH1A1L3MBTL1TSHRKDM4EHTT
SCHEMBL7786085 0.97 ALDH1A1 (0.53) ALDH1A1L3MBTL1TSHRKDM4EHTT
SCHEMBL7791975 0.94 ALDH1A1 (0.49) ALDH1A1L3MBTL1TSHRKDM4EHTT
SCHEMBL7794725 0.94 KDM4E (0.48) ALDH1A1L3MBTL1TSHRKDM4EHTT
SCHEMBL7791841 0.92 ALDH1A1 (0.49) ALDH1A1L3MBTL1TSHRKDM4EHTT
SCHEMBL7796208 0.92 ALDH1A1 (0.63) ALDH1A1L3MBTL1TSHRKDM4EHTT
SCHEMBL7786388 0.91 MET (0.50) ALDH1A1L3MBTL1TSHRKDM4EHTT
SCHEMBL7786234 0.91 MET (0.50) ALDH1A1L3MBTL1TSHRKDM4EHTT

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