SCHEMBL7148686

SCHEMBL7148686

CC([NH])NC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA7 P43166 1/20 0.55
CTSK P43235 10/20 0.49
CYP2D6 P10635 1/20 0.49
CTSS P25774 5/20 0.46
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
KMT2A Q03164 3/20 0.42
CA12 O43570 1/20 0.42
CA14 Q9ULX7 1/20 0.42
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL24069882 0.83 CA1 (0.57) CA1CA2CA7CTSKCYP2D6
SCHEMBL10652 0.83 CA1 (0.57) CA1CA2CA7CTSKCYP2D6
Ammonia Solution, Strong SCHEMBL9235390 0.81 CA1 (0.55) CA1CA2CA7CTSKCYP2D6
SCHEMBL305895 0.81 CA1 (0.55) CA1CA2CA7CTSKCYP2D6
SCHEMBL2550753 0.81 CA1 (0.55) CA1CA2CA7CTSKCYP2D6
SCHEMBL11201598 0.80 CA1 (0.50) CA1CA2CA7CTSKCYP2D6
SCHEMBL19489244 0.80 CA1 (0.50) CA1CA2CA7CTSKCYP2D6
SCHEMBL963465 0.80 CTSK (0.53) CA1CA2CA7CTSKCYP2D6
SCHEMBL7771571 0.80 CA1 (0.50) CA1CA2CA7CTSKCYP2D6
SCHEMBL2058674 0.80 CTSK (0.53) CA1CA2CA7CTSKCYP2D6

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-6525059-B1 Mitogen-activated protein kinases (MAP); G. D. SEARLE & COMPANY 2003-02-25 US disclosed