SCHEMBL18978666

SCHEMBL18978666

C[C@@H](Cc1ccccc1)NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ MMP1 P03956 1/20 0.47
▸ MMP3 P08254 1/20 0.47
▸ MMP9 P14780 1/20 0.47
▸ MAPT P10636 4/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ NPSR1 Q6W5P4 4/20 0.46
▸ CTSS P25774 2/20 0.45
▸ CTSK P43235 2/20 0.45
▸ CTSL P07711 1/20 0.45
▸ CTSB P07858 1/20 0.45
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ PSMB8 P28062 1/20 0.43
▸ PSMB9 P28065 1/20 0.43
▸ PSMB5 P28074 1/20 0.43
▸ POLB P06746 2/20 0.43

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
SCHEMBL14637585 0.88 CTSK (0.55) PAX8TDP1MMP1MMP3MMP9
SCHEMBL10135741 0.88 CTSK (0.55) PAX8TDP1MMP1MMP3MMP9
SCHEMBL969253 0.87 PAX8 (0.53) PAX8TDP1MMP1MMP3MMP9
SCHEMBL7922903 0.85 PAX8 (0.51) PAX8TDP1MMP1MMP3MMP9
SCHEMBL13043257 0.85 CTSK (0.56) PAX8TDP1MMP1MMP3MMP9
SCHEMBL18978665 0.82 CTSK (0.53) PAX8TDP1MMP1MMP3MMP9
SCHEMBL23680296 0.82 PAX8 (0.49) PAX8TDP1MMP1MMP3MMP9
SCHEMBL12947605 0.82 PAX8 (0.49) PAX8TDP1MMP1MMP3MMP9
SCHEMBL18791196 0.81 KLK7 (0.50) TDP1MMP1MMP3MMP9MAPT
SCHEMBL10242762 0.80 CTSK (0.49) PAX8TDP1MAPTCTSSCTSK

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
WO-2017098533-A2 PROCESS FOR PREPARATION OF LISDEXAMPHETAMINE SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2017-06-15 — — WO disclosed
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