SCHEMBL5972797

SCHEMBL5972797

[CH2]CC=Nc1ccc(OCc2cccc(COc3ccc(C(C)(C)c4ccc(O)cc4)cc3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
CASP3 P42574 1/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47
KMT2A Q03164 1/20 0.47
PLEC Q15149 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAOB P27338 15/20 0.44
MAOA P21397 2/20 0.44
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40

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
SCHEMBL5972792 0.85 PKM (0.48) PKMKDM4EMEN1ALDH1A1GAA
SCHEMBL5605671 0.82 ESR1 (0.45) PKMKDM4EMEN1ALDH1A1GAA
SCHEMBL10005112 0.81 PKM (0.41) PKMKDM4EMEN1ALDH1A1GAA
SCHEMBL5605698 0.81 PKM (0.44) PKMKDM4EMEN1ALDH1A1GAA
SCHEMBL4993768 0.81 PKM (0.46) PKMKDM4EMEN1ALDH1A1GAA
SCHEMBL668004 0.78 PKM (0.44) PKMKDM4EMEN1ALDH1A1GAA
SCHEMBL10005110 0.77 PKM (0.41) PKMKDM4EMEN1ALDH1A1GAA
Hydrochloric Acid SCHEMBL8000443 0.77 MAOB (0.59) MAOBESR1ESR2LMNACYP1A2
SCHEMBL13140115 0.76 F2 (0.53) MAOBMAOAESR1ESR2LMNA
SCHEMBL6553509 0.76 MAOB (0.54) MAOBESR1ESR2LMNACYP1A2

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-1653865-A2 ANASTOMOTIC CONNECTOR DEVICES ANGIOTECH INTERNATIONAL AG (CH) 2006-05-10 EP disclosed
WO-2005018683-A2 ANASTOMOTIC CONNECTOR DEVICES ANGIOTECH INTERNATIONAL AG (CH) 2005-03-03 WO disclosed