SCHEMBL7794779

SCHEMBL7794779

CCOc1cc(OCCCN2CCCC2)cc2c1-c1c(OCCCN3CCCC3)cccc1C2=O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.54
ALDH1A1 P00352 3/20 0.54
TSHR P16473 1/20 0.51
MET P08581 1/20 0.48
KDM4E B2RXH2 2/20 0.47
HTT P42858 2/20 0.47
HRH3 Q9Y5N1 3/20 0.47
KCNH2 Q12809 1/20 0.47
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL7786085 0.99 ALDH1A1 (0.53) L3MBTL1ALDH1A1TSHRMETKDM4E
SCHEMBL7786170 0.98 ALDH1A1 (0.54) L3MBTL1ALDH1A1TSHRMETKDM4E
SCHEMBL7792137 0.97 ALDH1A1 (0.53) L3MBTL1ALDH1A1TSHRMETKDM4E
SCHEMBL27559437 0.97 ALDH1A1 (0.53) L3MBTL1ALDH1A1TSHRMETKDM4E
SCHEMBL7791841 0.94 ALDH1A1 (0.49) L3MBTL1ALDH1A1TSHRKDM4EHTT
SCHEMBL7786388 0.94 MET (0.50) L3MBTL1ALDH1A1TSHRMETKDM4E
SCHEMBL7786234 0.94 MET (0.50) L3MBTL1ALDH1A1TSHRMETKDM4E
SCHEMBL7792451 0.94 HRH3 (0.49) L3MBTL1ALDH1A1METKDM4EHTT
SCHEMBL7795919 0.94 KDM4E (0.48) L3MBTL1ALDH1A1TSHRKDM4EHTT
SCHEMBL7786477 0.93 MET (0.49) L3MBTL1ALDH1A1TSHRMETKDM4E

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