SCHEMBL3669579

SCHEMBL3669579

CCO[C](CN=C=O)OCC

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALOX15 P16050 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
SOAT1 P35610 1/20 0.33
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
TRPA1 O75762 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL48624 0.79
Water SCHEMBL27286505 0.77 GAA (0.46) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL13064717 0.77
SCHEMBL5167163 0.75
SCHEMBL9676716 0.73 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL28031923 0.71 GAA (0.40) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL22573269 0.69
SCHEMBL575780 0.67 NAAA (0.36) ALDH1A1LMNATSHR
SCHEMBL48378 0.67 CYP1A2 (0.45) ALDH1A1LMNAHSD17B10ALOX15MGAM
Urethane SCHEMBL10338136 0.67 ALOX15 (0.62) ALDH1A1LMNAHSD17B10ALOX15MGAM

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-2010119004-A1 COMPOSITION BASED ON SILOXANE COPOLYMERS WACKER CHEMIE AG (DE) 2010-10-21 WO disclosed