SCHEMBL13075098

SCHEMBL13075098

CC(CC1C=CCC1)OC(=O)C(C)(C)Br

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ CTSK P43235 2/20 0.32
▸ CHRNB2 P17787 1/20 0.32
▸ CHRNA3 P32297 1/20 0.32
▸ CHRNA4 P43681 1/20 0.32
▸ CHRNB3 Q05901 1/20 0.32
▸ CHRNA6 Q15825 1/20 0.32
▸ CTSL P07711 1/20 0.32
▸ CTSB P07858 1/20 0.32
▸ CTSH P09668 1/20 0.32

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
SCHEMBL13358801 0.71 USP2 (0.41) USP2ALDH1A1ALOX15TDP1CHRNB2
SCHEMBL15802703 0.68 MAPT (0.36) —
SCHEMBL14287526 0.68 — —
SCHEMBL1525596 0.67 — —
SCHEMBL14065524 0.67 ALDH1A1 (0.43) USP2ALDH1A1ALOX15TDP1CHRNB2
SCHEMBL10835748 0.65 NPSR1 (0.31) —
SCHEMBL19259373 0.65 USP2 (0.41) USP2ALDH1A1ALOX15TDP1CHRNB2
SCHEMBL17805898 0.64 TSHR (0.40) ALDH1A1
SCHEMBL4428008 0.64 USP2 (0.43) USP2ALDH1A1ALOX15TDP1CHRNB2
SCHEMBL454299 0.63 TSHR (0.43) USP2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825200-B2 olefins functionalized with free radical initiators, copolymerization with ethylene and subsequent grafting with butyl acrylate; initiating monomer is from 5-norbornen-2-ol; 5-norbornen-2-yl 4-(1-(1-(2,2,6,6-tetramethylpiperidinoxy))ethyl)benzyl ether; nickel complex catalyst THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-11-02 — — US disclosed
US-20070149732-A1 Controlled free radical grafting from polyolefins REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE 2007-06-28 — — US disclosed
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