SCHEMBL28345167

SCHEMBL28345167

CCOC(=O)C1C=CC=CC1(NC(=O)c1cn(C)nc1C(F)(F)F)OCC

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 2/20 0.36
DGAT1 O75907 5/20 0.34
BACE1 P56817 4/20 0.33
BACE2 Q9Y5Z0 2/20 0.33
STING1 Q86WV6 1/20 0.33
S1PR2 O95136 2/20 0.32
NTRK1 P04629 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
KLK7 P49862 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL28350304 0.91 LMNA (0.42) LMNAPOLBGAADGAT1BACE1
SCHEMBL28958595 0.91 LMNA (0.42) LMNAPOLBGAADGAT1BACE1
SCHEMBL28348615 0.87 GAA (0.37) GAADGAT1KDM4EALDH1A1HPGD
SCHEMBL28345080 0.87 LMNA (0.41) LMNAPOLBGAADGAT1BACE1
SCHEMBL28348577 0.86 LMNA (0.41) LMNAPOLBGAADGAT1BACE1
SCHEMBL28348087 0.86 LMNA (0.43) LMNAPOLBGAADGAT1BACE1
SCHEMBL28345300 0.85 ACACB (0.32)
SCHEMBL28345531 0.84 LMNA (0.38) LMNAPOLBGAADGAT1BACE1
SCHEMBL28350649 0.79 LMNA (0.40) LMNAPOLBGAADGAT1BACE1
SCHEMBL28348147 0.79 LMNA (0.44) LMNAPOLBGAADGAT1BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110615765-B (1H-pyrazole-4-formamido) ethyl benzoate compound and preparation method and application thereof 浙江工业大学 2021-06-25 CN disclosed
CN-110615765-A (1H-pyrazole-4-formamido) ethyl benzoate compound and preparation method and application thereof 浙江工业大学 2019-12-27 CN disclosed