SCHEMBL2488006

SCHEMBL2488006

CC(C)CCCCCOC(=O)CCc1ccc(O)c(-c2cccc3[nH]nnc23)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.39
PDE1A P54750 1/20 0.35
PDE1B Q01064 1/20 0.35
PDE1C Q14123 1/20 0.35
CYP3A4 P08684 3/20 0.34
CYP2D6 P10635 3/20 0.34
CYP2C9 P11712 3/20 0.34
CYP2C19 P33261 3/20 0.34
CYP1A2 P05177 2/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LTB4R Q15722 2/20 0.33
P2RY10 O00398 1/20 0.33
ALDH1A1 P00352 1/20 0.32
RXRA P19793 1/20 0.32

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
SCHEMBL3746000 0.88 PDE1A (0.36) APPPDE1APDE1BPDE1CP2RY10
SCHEMBL5084394 0.86 PDE1A (0.34) PDE1APDE1BPDE1CMEN1KMT2A
SCHEMBL29494854 0.86 PDE1A (0.34) PDE1APDE1BPDE1CMEN1KMT2A
SCHEMBL6236497 0.85 APP (0.36) APPPDE1APDE1BPDE1CCYP3A4
SCHEMBL6999046 0.83 APP (0.37) APPPDE1APDE1BPDE1CCYP3A4
SCHEMBL539016 0.83 APP (0.35) APPPDE1APDE1BPDE1CCYP3A4
SCHEMBL29565142 0.77 ALDH1A1 (0.38) MEN1KMT2AP2RY10ALDH1A1KDM4E
SCHEMBL28093559 0.77 MET (0.32) POLBTSHRLTB4RTDP1
SCHEMBL6278572 0.77 ALDH1A1 (0.38) MEN1KMT2AP2RY10ALDH1A1KDM4E
SCHEMBL2934860 0.75 APP (0.34) APPTSHRLTB4R

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-2379643-A1 LAYERED SILICATE FLAME RETARDANT COMPOSITIONS BASF SE (DE) 2011-10-26 EP disclosed
WO-2010069835-A1 LAYERED SILICATE FLAME RETARDANT COMPOSITIONS BASF SE (DE) 2010-06-24 WO disclosed