SCHEMBL18722285

SCHEMBL18722285

CC(C)CC(NC(C)c1ccccc1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 3/20 0.55
MMP8 P22894 1/20 0.55
MMP14 P50281 1/20 0.55
MME P08473 2/20 0.54
APAF1 O14727 1/20 0.51
CTSK P43235 1/20 0.51
MMP1 P03956 2/20 0.48
MMP3 P08254 2/20 0.48
GRN P28799 1/20 0.48
SORT1 Q99523 1/20 0.48
POLB P06746 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47

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
SCHEMBL17530042 1.00 MMP9 (0.55) MMP9MMP8MMP14MMEAPAF1
SCHEMBL17530041 1.00 MMP9 (0.55) MMP9MMP8MMP14MMEAPAF1
SCHEMBL8255247 0.85 FOLH1 (0.55) MMP9MMP8MMP14MMECTSK
SCHEMBL5869744 0.85 FOLH1 (0.55) MMP9MMP8MMP14MMECTSK
SCHEMBL8248672 0.85 FOLH1 (0.55) MMP9MMP8MMP14MMECTSK
SCHEMBL8249122 0.85 FOLH1 (0.55) MMP9MMP8MMP14MMECTSK
SCHEMBL652495 0.84 MEN1 (0.56) MMEAPAF1POLBCTDSP1
SCHEMBL7368895 0.84 FPR2 (0.58) MMP9MMP8MMP14CTSKGRN
SCHEMBL11774297 0.83 APAF1 (0.51) APAF1POLBCTDSP1
SCHEMBL7620487 0.83 APAF1 (0.56) MMEAPAF1

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-9617292-B2 Method for producing novel organometallic complex and amine compound KANTO KAGAKU KABUSHIKI KAISHA (JP) 2017-04-11 US disclosed