SCHEMBL29197296

SCHEMBL29197296

CC(=O)OCC(F)CCF

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 5/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.39
USP2 O75604 3/20 0.34
CYP3A4 P08684 3/20 0.34
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HPGD P15428 1/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
ALOX15 P16050 1/20 0.32
CHRM5 P08912 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
TSHR P16473 2/20 0.32
PGR P06401 1/20 0.32
CHRM2 P08172 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
SCHEMBL25822842 0.84
SCHEMBL15012903 0.81 ALDH1A1 (0.32) ALDH1A1
SCHEMBL4611869 0.79
SCHEMBL10613821 0.78 MAPT (0.48) ALDH1A1USP2CYP3A4MAPTSMN1; SMN2
SCHEMBL18232607 0.77 TDP1 (0.41) TDP1ALDH1A1LMNAHSD17B10GAA
SCHEMBL333733 0.75
SCHEMBL29256911 0.74 TDP1 (0.47) TDP1ALDH1A1LMNAHSD17B10USP2
SCHEMBL24484774 0.74 TDP1 (0.36) TDP1MAPTSMN1; SMN2CHRM5CHRM1
SCHEMBL8888899 0.73
SCHEMBL18643804 0.73

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
CN-115216343-B Preparation method of low-viscosity poly alpha-olefin synthetic oil 中国石油天然气股份有限公司 2024-03-01 CN disclosed