SCHEMBL4788656

SCHEMBL4788656

O=C(O)CCCC(=O)OC(OC(=O)CCCC(=O)O)C1CCC(C(OC(=O)CCCC(=O)O)OC(=O)CCCC(=O)O)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.45
SLC22A6 Q4U2R8 1/20 0.42
LMNA P02545 8/20 0.37
PMP22 Q01453 2/20 0.36
NFKB1 P19838 1/20 0.36
ALDH1A1 P00352 3/20 0.33
CAMK2A Q9UQM7 1/20 0.33
GAA P10253 1/20 0.33
HSD17B10 Q99714 2/20 0.33
THRB P10828 2/20 0.33
BLM P54132 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 2/20 0.33
CYP2C9 P11712 1/20 0.33
MEN1 O00255 1/20 0.33
NR1I2 O75469 1/20 0.33
ACHE P22303 1/20 0.33
APEX1 P27695 1/20 0.33
RECQL P46063 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL4787645 0.94 TSHR (0.44) TSHRSLC22A6LMNAPMP22NFKB1
SCHEMBL4788377 0.94 TSHR (0.44) TSHRSLC22A6LMNAPMP22NFKB1
SCHEMBL6343322 0.90 LMNA (0.44) TSHRSLC22A6LMNAALDH1A1APEX1
SCHEMBL6337538 0.90 LMNA (0.44) TSHRSLC22A6LMNAALDH1A1APEX1
SCHEMBL18620 0.75 LMNA (0.61) TSHRSLC22A6LMNAPMP22NFKB1
SCHEMBL6536625 0.75 EPHX1 (0.45) TSHRLMNAPMP22NFKB1ALDH1A1
SCHEMBL3858547 0.72 LMNA (0.51) LMNAALDH1A1THRB
SCHEMBL58343 0.71 LMNA (0.67) TSHRSLC22A6LMNAPMP22NFKB1
SCHEMBL15864631 0.71 TSHR (0.47) TSHRSLC22A6LMNAPMP22NFKB1
SCHEMBL3504682 0.69 LMNA (0.70) TSHRSLC22A6LMNAPMP22NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008122763-A1 METHOD OF PEST AND FUNGAL CONTROL SYNGENTA PARTICIPATIONS AG (CH) 2008-10-16 WO disclosed