SCHEMBL27786016

SCHEMBL27786016

CC#CC(CCC)NC(=O)OI

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.34
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
CTSS P25774 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31

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
SCHEMBL6429832 0.77 CHRM1 (0.38) CTSKTAS1R3TAS1R1CTSSHDAC7
SCHEMBL28015831 0.75 TAS1R3 (0.48) TAS1R3TAS1R1HDAC7HDAC8HDAC6
SCHEMBL1991647 0.68 EPHX1 (0.34) CTSKTAS1R3TAS1R1CTSSHDAC7
SCHEMBL26134914 0.67 MEN1 (0.31)
SCHEMBL24600056 0.66 ADH1B (0.38) CTSKHDAC7HDAC8HDAC6HDAC9
SCHEMBL17091717 0.66 CHRM1 (0.34) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL168929 0.64 CHRM1 (0.33) TAS1R3TAS1R1HDAC7HDAC8HDAC6
SCHEMBL9515168 0.63 CTSK (0.52) CTSKCTSS
SCHEMBL22129689 0.63 CTSK (0.31) CTSKCTSS
SCHEMBL12635082 0.62 CTSK (0.51) CTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107635589-A Essentially antimicrobial porous matrix composites and methods of making the same 约翰·保罗·威尔逊 2018-01-26 CN claimed
CN-101585674-B Composite concrete additive aqua antiseptic agent JIANGSU TEMISI CONCRETE ADDITIVE CO LTD 2011-08-31 CN disclosed
CN-101585674-A Composite concrete additive aqua antiseptic agent JIANGSU TMS COMCREATE ADDITION (CN) 2009-11-25 CN disclosed