SCHEMBL19465643

SCHEMBL19465643

CCOC(=O)C(CCC(F)(F)F)C(CCC(F)(F)F)C(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALOX15 P16050 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SOAT1 P35610 1/20 0.36
HTT P42858 1/20 0.35
POLB P06746 1/20 0.35
CAD P27708 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CPB2 Q96IY4 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TRPA1 O75762 1/20 0.33
GLO1 Q04760 1/20 0.33
AAK1 Q2M2I8 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
SCHEMBL1787816 0.88 POLB (0.35) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL28450302 0.88 POLB (0.35) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL8157644 0.83 TDP1 (0.42) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL31075302 0.79 TDP1 (0.40) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL22909587 0.79 ALOX15 (0.38) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL28271057 0.79 ALOX15 (0.38) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL3077825 0.79 HTT (0.42) HTTAAK1
SCHEMBL3074393 0.79 TSHR (0.39) ALDH1A1GAAHTTAAK1
SCHEMBL234751 0.77 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL28269212 0.76 NOD1 (0.40) ALDH1A1ALOX15POLBCPB2KMT2A

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
US-9796796-B2 Self-limiting catalyst composition with No silane W. R. GRACE & CO.-CONN. (US) 2017-10-24 US disclosed