SCHEMBL28348147

SCHEMBL28348147

CCOC(=O)C1C=CC=C(Cl)C1(Cl)NC(=O)c1cn(C)nc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.36
DGAT1 O75907 7/20 0.36
S1PR2 O95136 4/20 0.33
BACE1 P56817 2/20 0.33
BACE2 Q9Y5Z0 2/20 0.33
KLKB1 P03952 2/20 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
SCHEMBL28354437 0.87 LMNA (0.48) LMNAPOLBGAADGAT1BACE1
SCHEMBL28348791 0.87 GAA (0.37) GAADGAT1
SCHEMBL28354451 0.87 LMNA (0.48) LMNAPOLBGAADGAT1BACE1
SCHEMBL28348606 0.85 ACACB (0.33) KLKB1
SCHEMBL28348087 0.84 LMNA (0.43) LMNAPOLBGAADGAT1S1PR2
SCHEMBL28345080 0.81 LMNA (0.41) LMNAPOLBGAADGAT1BACE1
SCHEMBL28881629 0.80 LMNA (0.44) LMNAPOLBGAADGAT1S1PR2
SCHEMBL28345052 0.80 LMNA (0.44) LMNAPOLBGAADGAT1S1PR2
SCHEMBL28348577 0.80 LMNA (0.41) LMNAPOLBGAADGAT1BACE1
SCHEMBL28345167 0.79 LMNA (0.40) LMNAPOLBGAADGAT1S1PR2

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