SCHEMBL29683039

SCHEMBL29683039

CCCCC(NC(=O)OOC(C)(C)C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.50
CTSS P25774 2/20 0.50
NOD1 Q9Y239 3/20 0.44
CA2 P00918 3/20 0.41
CA1 P00915 1/20 0.41
MAPK1 P28482 1/20 0.41
HDAC2 Q92769 1/20 0.39
MME P08473 1/20 0.39

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
SCHEMBL1350139 0.84 CTSK (0.68) CTSKCTSS
SCHEMBL3448997 0.84 CTSK (0.68) CTSKCTSS
SCHEMBL345582 0.84 CTSK (0.68) CTSKCTSS
SCHEMBL9257529 0.83 CTSK (0.45) CTSKCTSSMME
Hydrochloric Acid SCHEMBL6037571 0.83 CTSK (0.66) CTSKCTSS
SCHEMBL6497912 0.82 CTSK (0.35) CTSKCTSS
SCHEMBL1951736 0.80 NOD1 (0.51) CTSKCTSSNOD1CA2CA1
SCHEMBL1951738 0.80 NOD1 (0.51) CTSKCTSSNOD1CA2CA1
SCHEMBL3233192 0.79 CTSK (0.62) CTSKCTSSNOD1
SCHEMBL18875931 0.79 CTSK (0.62) CTSKCTSSNOD1

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-2022126304-A1 MODIFIED HELICASE AND APPLICATION THEREOF 北京齐碳科技有限公司 2022-06-23 WO claimed