SCHEMBL8066895

SCHEMBL8066895

CC(C)(C)OC(=O)NS(=O)(=O)NCC(=O)OCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.68
CA12 O43570 4/20 0.68
CA14 Q9ULX7 2/20 0.68
CA7 P43166 1/20 0.68
CA2 P00918 6/20 0.60
CA9 Q16790 2/20 0.48
SYK P43405 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PKM P14618 1/20 0.46
ACHE P22303 3/20 0.46
CTSL P07711 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PPARA Q07869 1/20 0.42
KLK7 P49862 1/20 0.42
KLK5 Q9Y337 1/20 0.42

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
SCHEMBL8238491 0.83 SYK (0.61) CA1CA12CA14CA7SYK
SCHEMBL964611 0.82 CA1 (0.57) CA1CA12CA14CA7CA2
SCHEMBL6337412 0.81 CA12 (1.00) CA1CA12CA14CA7CA2
SCHEMBL29206826 0.81 CA1 (0.58) CA1CA12CA14CA7CA2
SCHEMBL8488663 0.81 ALDH1A1 (0.51) CA1CA12CA14CA7CA2
SCHEMBL10072965 0.80 SYK (0.52) CA1CA12CA14CA7SYK
SCHEMBL8244755 0.79 CA12 (0.75) CA1CA12CA14CA7CA2
SCHEMBL966252 0.78 CA12 (0.74) CA1CA12CA14CA7CA2
SCHEMBL25391654 0.78 SYK (0.56) SYKMEN1KMT2AALDH1A1MAPK1
SCHEMBL8180866 0.78 SYK (0.56) SYKMEN1KMT2AALDH1A1MAPK1

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-6159994-A Histamine H3 receptor ligands JAMES BLACK FOUNDATION (GB) 2000-12-12 US disclosed
WO-1999005141-A1 HISTAMINE H3 RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 1999-02-04 WO disclosed