SCHEMBL13965670

SCHEMBL13965670

CCCCCCCCCCCCCOc1cc(C#Cc2cc(OCCCCC(=O)Nc3cc(C(=O)N(CCCCCCCC)CCCCCCCC)cc(C(=O)N(CCCCCCCC)CCCCCCCC)c3)c(C#Cc3cc(OCCCCCCCCCCCC)c(C#Cc4ccccc4)cc3OCCCCCCCCCCCC)cc2OCCCCC(=O)Nc2cc(C(=O)N(CCCCCCCC)CCCCCCCC)cc(C(=O)N(CCCCCCCC)CCCCCCCC)c2)c(OCCCCCCCCCCCC)cc1C#Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.44
CNR1 P21554 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 2/20 0.42
ICMT O60725 2/20 0.42
ALB P02768 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
EPHX2 P34913 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SOAT2 O75908 1/20 0.40
SOAT1 P35610 1/20 0.40
S1PR3 Q99500 1/20 0.39

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
SCHEMBL13965668 0.99 CNR2 (0.44) CNR2CNR1SMN1; SMN2HTTICMT
SCHEMBL13965706 0.93 CNR2 (0.40) CNR2CNR1SMN1; SMN2HTTICMT
SCHEMBL13965679 0.82 THRA (0.42) HTTNPC1ALDH1A1CYP3A4LMNA
SCHEMBL13965638 0.82 THRA (0.42) HTTNPC1ALDH1A1CYP3A4LMNA
SCHEMBL13965639 0.81 THRA (0.41) HTTNPC1ALDH1A1CYP3A4LMNA
SCHEMBL13965637 0.75 ALDH1A1 (0.45) CNR2CNR1SMN1; SMN2HTTNPC1
SCHEMBL13965649 0.75 ALDH1A1 (0.45) CNR2CNR1SMN1; SMN2HTTNPC1
SCHEMBL6884008 0.75 LTA4H (0.46) CNR1ALDH1A1CYP3A4LMNA
SCHEMBL12431348 0.75 LTA4H (0.46) CNR1ALDH1A1CYP3A4LMNA
SCHEMBL13965713 0.73 ALDH1A1 (0.43) SMN1; SMN2HTTNPC1RAB9AALDH1A1

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
US-7479516-B2 Nanocomposites and methods thereto ZYVEX PERFORMANCE MATERIALS, LLC (US) 2009-01-20 US disclosed
US-20070265379-A1 NANOCOMPOSITES AND METHODS THERETO ZYVEX CORPORATION (US) 2007-11-15 US disclosed