SCHEMBL28345182

SCHEMBL28345182

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

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACACB O00763 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
SCHEMBL28348577 0.87 LMNA (0.41)
SCHEMBL28345058 0.86 ACACB (0.33) ACACB
SCHEMBL28348546 0.85 ACACB (0.32) ACACB
SCHEMBL28345300 0.84 ACACB (0.32) ACACB
SCHEMBL28348111 0.82 MEN1 (0.33) ACACB
SCHEMBL28354665 0.79 ACACB (0.32) ACACB
SCHEMBL28348606 0.79 ACACB (0.33) ACACB
SCHEMBL28354235 0.78 ACACB (0.31) ACACB
SCHEMBL28350720 0.78 ACACB (0.32) ACACB
SCHEMBL28354369 0.76 ACACB (0.33) ACACB

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