SCHEMBL6685916

SCHEMBL6685916

CC(=CC(C)NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CTSK P43235 9/20 0.41
CTSS P25774 5/20 0.41
CYP2D6 P10635 1/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
ATM Q13315 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
TRPA1 O75762 1/20 0.35
MAPT P10636 1/20 0.35
APLNR P35414 1/20 0.35

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
SCHEMBL384009 1.00 CA1 (0.44) CA1CA2CA7CTSKCTSS
SCHEMBL384991 1.00 CA1 (0.44) CA1CA2CA7CTSKCTSS
SCHEMBL6683824 0.85 CA1 (0.42) CA1CA2CA7CTSKCTSS
SCHEMBL18809767 0.84 CA1 (0.45) CA1CA2CA7CTSKCTSS
SCHEMBL2058438 0.82 CA1 (0.46) CA1CA2CA7CTSKCTSS
SCHEMBL1106540 0.82 CA1 (0.46) CA1CA2CA7CTSKCTSS
SCHEMBL1912574 0.80 CYP1A2 (0.43) CA1CA2CA7CTSKCYP2D6
SCHEMBL1912577 0.80 CYP1A2 (0.43) CA1CA2CA7CTSKCYP2D6
SCHEMBL1912578 0.80 CYP1A2 (0.43) CA1CA2CA7CTSKCYP2D6
SCHEMBL2546243 0.79 CA1 (0.44) CA1CA2CA7CTSKCTSS

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-2004074335-A1 NOVEL CATIONIC POLYMERS AND COPOLYMERS, USE THEREOF FOR THE VECTORISATION OF BIOMOLECULES AND SYNTHETIC INTERMEDIATES FOR THE SAME HALISOL (FR) 2004-09-02 WO disclosed