SCHEMBL18575670

SCHEMBL18575670

CCCCOCCOCCO.OCC(COCC1CO1)OCC1CO1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
TSHR P16473 4/20 0.45
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.41
PDK1 Q15118 1/20 0.33
USP2 O75604 2/20 0.32
CYP3A4 P08684 2/20 0.32
MAPK1 P28482 2/20 0.32
LMNA P02545 1/20 0.32
CASP1 P29466 1/20 0.32
SLCO1B3 Q9NPD5 1/20 0.32
SLCO1B1 Q9Y6L6 1/20 0.32
SPHK2 Q9NRA0 1/20 0.31
SPHK1 Q9NYA1 1/20 0.31

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
SCHEMBL28552663 0.86 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1TDP1TSHRPDK1
Triethylene Glycol SCHEMBL9225123 0.84 SMN1; SMN2 (0.76) SMN1; SMN2ALDH1A1TDP1TSHRMEN1
SCHEMBL8198799 0.84 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1TDP1TSHRMEN1
SCHEMBL19820320 0.83 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1TDP1TSHRPDK1
SCHEMBL42453 0.83 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1TDP1TSHRCYP3A4
SCHEMBL28876138 0.82 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1TDP1TSHRUSP2
SCHEMBL18019645 0.82 TSHR (0.44) SMN1; SMN2ALDH1A1TDP1TSHRUSP2
Propanol SCHEMBL3448420 0.81 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL3416030 0.81 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1TDP1TSHRCYP3A4
SCHEMBL22443175 0.81 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1TDP1TSHRCYP3A4

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
EP-2191482-B1 ELECTRICALLY CONDUCTIVE COMPOSITION HENKEL AG & CO KGAA (DE) 2017-03-08 EP disclosed