SCHEMBL28476459

SCHEMBL28476459

CC(CO)C(C)(NC(=O)OC(C)(C)C)C(=O)Oc1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.40
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
AAK1 Q2M2I8 3/20 0.36
FAAH O00519 3/20 0.36
GRM2 Q14416 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
ELANE P08246 3/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL28900875 0.89 ELANE (0.39) SCN9ACTSSCTSKAAK1FAAH
SCHEMBL5585952 0.79 ELANE (0.46) SCN9ACTSSCTSKFAAHELANE
SCHEMBL28532387 0.75 ELANE (0.42) CTSSCTSKAAK1GAAELANE
SCHEMBL10616462 0.72 FAAH (0.41) FAAHELANEALDH1A1
SCHEMBL19602676 0.69 KMT2A (0.44) CTSSCTSKAAK1
SCHEMBL28611652 0.68 ALDH1A1 (0.43) GAAALDH1A1
SCHEMBL27677927 0.68 SMN1; SMN2 (0.41) SCN9ACTSSCTSKAAK1GRM2
SCHEMBL27666836 0.68 CTSK (0.43) CTSSCTSKELANE
SCHEMBL1792031 0.67 ELANE (0.68) FAAHELANEALDH1A1
Hydrochloric Acid SCHEMBL28475677 0.67 ELANE (0.43) ELANEALDH1A1

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-109640658-B Process for preparing 4-alkoxy-3- (acyl or aliphatic saturated hydrocarbyl) oxypyridine carboxamides 美国陶氏益农公司 2021-07-27 CN disclosed
CN-109640657-B Process for preparing 4-alkoxy-3- (acyl or aliphatic saturated hydrocarbyl) oxypyridine carboxamides 美国陶氏益农公司 2020-10-30 CN disclosed