SCHEMBL13006703

SCHEMBL13006703

CCCCCCCCCCC(C)(CCCCCCCC)c1ccc(Nc2ccc(C(C)(CCCCCCCC)CCCCCCCCCC)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.41
CNR1 P21554 8/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL13006705 0.93 MAPT (0.43) CNR2CNR1HDAC3HDAC1HDAC2
SCHEMBL13006702 0.87 LMNA (0.35) CNR2CNR1HDAC3HDAC1HDAC2
SCHEMBL13006709 0.85 LMNA (0.36) CNR2CNR1HDAC3HDAC1HDAC2
SCHEMBL20716198 0.84 CNR2 (0.39) CNR2CNR1HDAC3HDAC1HDAC2
SCHEMBL13006707 0.83 LMNA (0.33) CNR2CNR1MEN1ALDH1A1MAPT
SCHEMBL39060 0.83 CNR2 (0.54) CNR2CNR1
SCHEMBL13006708 0.80 LMNA (0.33) CNR2CNR1MEN1ALDH1A1MAPT
SCHEMBL25039175 0.79 SMN1; SMN2 (0.44) CNR2CNR1MEN1ALDH1A1KMT2A
SCHEMBL22920991 0.79 CNR2 (0.54) CNR2CNR1ESR1ESR2ALDH1A1
SCHEMBL22921038 0.79 CNR2 (0.54) CNR2CNR1ESR1ESR2ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7847030-B2 Diphenylamine functionalization of poly-α-olefins EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2010-12-07 US disclosed
US-7847030-B2 Diphenylamine functionalization of poly-α-olefins EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2010-12-07 US disclosed
WO-2009108369-A2 DIPHENYLAMINE FUNCTIONALIZATION OF POLY-α-OLEFINS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2009-09-03 WO disclosed
US-20090221760-A1 Diphenylamine functionalization of poly-alpha-olefins EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2009-09-03 US disclosed
US-20090221760-A1 Diphenylamine functionalization of poly-alpha-olefins EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2009-09-03 US disclosed