SCHEMBL28840410

SCHEMBL28840410

C[C@@H](COc1cc(C(=O)O)c(Cl)cc1F)NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 5/20 0.47
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
SCN9A Q15858 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL28840412 1.00 AAK1 (0.47) AAK1CA12CA1CA2CA9
SCHEMBL23706611 0.90 AAK1 (0.46) AAK1CA12CA1CA2CA9
SCHEMBL30103009 0.90 AAK1 (0.46) AAK1CA12CA1CA2CA9
SCHEMBL23706572 0.87 AAK1 (0.43) AAK1CA12CA1CA2CA9
SCHEMBL28840830 0.86 AAK1 (0.43) AAK1SCN9AHPGDSMN1; SMN2
SCHEMBL23706550 0.85 AAK1 (0.53) AAK1
SCHEMBL25075435 0.83 AAK1 (0.47) AAK1SCN9A
SCHEMBL29168923 0.83 AAK1 (0.47) AAK1SCN9A
SCHEMBL23706631 0.82 AAK1 (0.49) AAK1
SCHEMBL25075271 0.78 AAK1 (0.48) AAK1

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-115052856-A 3-alkoxybenzamide derivative and pest control agent 组合化学工业株式会社 2022-09-13 CN disclosed