SCHEMBL4669797

SCHEMBL4669797

CC(C)(C)OC(=O)N(Cl)C[C@H](O)CCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.44
CTSS P25774 1/20 0.44
DPP4 P27487 1/20 0.41
MMP12 P39900 3/20 0.40
MMP13 P45452 2/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP14 P50281 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
METAP2 P50579 1/20 0.39
METAP1 P53582 1/20 0.39
PRSS1 P07477 2/20 0.39
CTSG P08311 2/20 0.39
CTRB1 P17538 2/20 0.39
CMA1 P23946 2/20 0.39
TSHR P16473 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
AKT1 P31749 2/20 0.38
ADRB2 P07550 1/20 0.38

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
SCHEMBL6820695 0.77 SYK (0.38) CTSKCTSSDPP4MMP12L3MBTL1
SCHEMBL29013213 0.76 CTSK (0.42) CTSKCTSSDPP4MMP12MMP13
SCHEMBL23012930 0.75 MMP13 (0.46) CTSKCTSSMMP13L3MBTL1PRSS1
SCHEMBL7729226 0.75 MMP13 (0.46) CTSKCTSSMMP13L3MBTL1PRSS1
SCHEMBL7729230 0.75 MMP13 (0.46) CTSKCTSSMMP13L3MBTL1PRSS1
SCHEMBL1529633 0.74 KMT2A (0.54) DPP4MMP12MMP13MMP2MMP9
SCHEMBL12616798 0.74 MMP13 (0.45) CTSKCTSSMMP13MMP9L3MBTL1
SCHEMBL8239858 0.74 CTSK (0.56) CTSKCTSSMMP9AKT1ADRB2
SCHEMBL7085232 0.74 DPP4 (0.45) CTSKCTSSDPP4MMP12MMP13
SCHEMBL487448 0.74 CTSK (0.49) CTSKCTSSMMP9PRSS1CTSG

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
EP-1792986-B1 NOVEL CARBONYL REDUCTASE, GENE THEREOF AND METHOD OF USING THE SAME KANEKA CORP (JP) 2008-12-31 EP claimed