SCHEMBL9744822

SCHEMBL9744822

CC(C)(C)OC(=O)NCC(N)C(=O)c1ccc(COS(C)(=O)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.44
HDAC1 Q13547 1/20 0.38
CA2 P00918 11/20 0.38
CA1 P00915 10/20 0.38
PPARA Q07869 2/20 0.38
PPARG P37231 1/20 0.38
CA12 O43570 6/20 0.37
CA9 Q16790 5/20 0.37
NAMPT P43490 1/20 0.35
GAA P10253 1/20 0.35
SERPINE1 P05121 1/20 0.35
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34

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
SCHEMBL19716620 0.79 CA1 (0.50) SYKHDAC1CA2CA1CA12
SCHEMBL23074190 0.77 CA2 (0.50) CA2CA1PPARAPPARGCA12
SCHEMBL1569930 0.77 CA2 (0.56) SYKCA2CA1CA12CA9
SCHEMBL3375330 0.74 CYP17A1 (0.53) CA2CA1PPARAPPARGCA12
SCHEMBL1726210 0.72 MAPT (0.43) SYKCA2CA1PPARAPPARG
SCHEMBL1726216 0.72 MAPT (0.43) SYKCA2CA1PPARAPPARG
SCHEMBL9744826 0.71 HDAC3 (0.40) HDAC1CA2CA1PPARAPPARG
SCHEMBL17878732 0.71 SYK (0.65) SYKCA1PPARACA12CA7
SCHEMBL29879918 0.71 SYK (0.65) SYKCA1PPARACA12CA7
SCHEMBL5150999 0.71 PTPRB (0.46) PPARA

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-5098996-A Fluorination of compounds for use in diagnosis of nuclear medicine THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1992-03-24 US disclosed