SCHEMBL18403246

SCHEMBL18403246

C[C@@H]1OC(=O)C(NC(=O)OC(C)(C)C)CCC[C@H](O)[C@H]1Cc1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SCN9A Q15858 2/20 0.35
GAA P10253 1/20 0.35
CTSS P25774 1/20 0.33
CTSK P43235 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
SCHEMBL16865249 1.00 KMT2A (0.36) KMT2AL3MBTL1SCN9AGAACTSS
SCHEMBL17245242 0.87 KMT2A (0.41) KMT2AL3MBTL1SCN9A
SCHEMBL17245235 0.87 KMT2A (0.34) KMT2AL3MBTL1SCN9AGAA
SCHEMBL16864922 0.87 GAA (0.39) SCN9AGAACTSSCTSK
SCHEMBL16865265 0.86 SCN9A (0.33) KMT2AL3MBTL1SCN9AGAA
SCHEMBL16865270 0.86 SCN9A (0.35) KMT2AL3MBTL1SCN9AGAA
SCHEMBL16865313 0.86 SCN9A (0.33) KMT2AL3MBTL1SCN9AGAA
SCHEMBL17245232 0.86 CCR2 (0.35) SCN9A
SCHEMBL16865251 0.84 KMT2A (0.39) KMT2AL3MBTL1
SCHEMBL16865259 0.84 OPRK1 (0.33) KMT2AL3MBTL1SCN9A

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-9549555-B2 Macrocyclic picolinamide compounds with fungicidal activity DOW AGROSCIENCES LLC (US) 2017-01-24 US disclosed