SCHEMBL28409166

SCHEMBL28409166

Nc1ccc(C(=O)CC(=O)C(F)(F)F)s1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 3/20 0.46
PLOD3 O60568 2/20 0.45
PLOD1 Q02809 2/20 0.45
ERCC5 P28715 4/20 0.44
FEN1 P39748 4/20 0.44
HDAC6 Q9UBN7 7/20 0.37
HDAC4 P56524 6/20 0.37
HDAC1 Q13547 6/20 0.37
GSK3B P49841 4/20 0.37
CES1 P23141 1/20 0.34
HDAC3 O15379 5/20 0.34
DAO P14920 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
SCHEMBL28407046 0.81 PLOD2 (0.47) PLOD2PLOD3PLOD1ERCC5FEN1
SCHEMBL10876692 0.81 GSK3B (0.59) PLOD2PLOD3PLOD1ERCC5FEN1
SCHEMBL347869 0.79 GSK3B (0.58) PLOD2PLOD3PLOD1ERCC5FEN1
SCHEMBL5551328 0.79 DAO (0.48) PLOD2PLOD3PLOD1ERCC5FEN1
SCHEMBL347813 0.76 PLOD2 (0.42) PLOD2PLOD3PLOD1ERCC5FEN1
SCHEMBL3461763 0.76 PLOD2 (0.42) PLOD2PLOD3PLOD1ERCC5FEN1
SCHEMBL5903783 0.76 PLOD2 (0.42) PLOD2PLOD3PLOD1ERCC5FEN1
SCHEMBL3460989 0.74 PLOD2 (0.41) PLOD2PLOD3PLOD1ERCC5FEN1
SCHEMBL3244368 0.73 HDAC4 (0.68) PLOD2PLOD3PLOD1ERCC5FEN1
SCHEMBL3262821 0.72 HPGD (0.55) PLOD2HDAC6

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-111249805-B Electret nanofiber filtering material and preparation method thereof 厦门理工学院 2022-07-12 CN disclosed
CN-111249805-A Electret nanofiber filtering material and preparation method thereof 厦门理工学院 2020-06-09 CN disclosed