SCHEMBL6601203

SCHEMBL6601203

CCN(CC)C(=O)C(F)C(C)=O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP8 P22894 1/20 0.34
MC4R P32245 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 2/20 0.33
DPP4 P27487 1/20 0.32
HTT P42858 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
GAA P10253 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL28715642 0.77 LMNA (0.33) LMNAMMP1MMP2MMP3MMP8
SCHEMBL4457586 0.77 LMNA (0.40) LMNAMMP1MMP2MMP3MMP8
SCHEMBL7628951 0.76 SMN1; SMN2 (0.34) LMNAMMP1MMP2MMP3MMP8
SCHEMBL29330514 0.75 LMNA (0.39) LMNAMMP1MMP2MMP3MMP8
SCHEMBL15412358 0.75 LMNA (0.39) LMNAMMP1MMP2MMP3MMP8
SCHEMBL1009541 0.73 LMNA (0.37) LMNAMMP1MMP2MMP3MMP8
SCHEMBL6116656 0.73 LMNA (0.37) LMNAMMP1MMP2MMP3MMP8
SCHEMBL6599558 0.72 ALDH1A1 (0.32) ALDH1A1
SCHEMBL13264615 0.71 LMNA (0.36) LMNAMMP1MMP2MMP3MMP8
SCHEMBL11687600 0.71 LMNA (0.36) LMNAMMP1MMP2MMP3MMP8

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915833-B1 FLUORINATION OF KETOAMIDES F2 CHEMICALS LTD (GB) 2004-05-12 EP disclosed
US-6388133-B1 Fluorination of ketoamides F2 CHEMICALS LIMITED (GB) 2002-05-14 US disclosed
EP-0915833-A1 FLUORINATION OF KETOAMIDES F2 Chemicals Ltd. (GB) 1999-05-19 EP disclosed
WO-1998005628-A1 FLUORINATION OF KETOAMIDES F2 CHEMICALS LIMITED (GB) 1998-02-12 WO disclosed