SCHEMBL7434669

SCHEMBL7434669

CC(=O)C(CC(C)C)NS(=O)(=O)Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
MEN1 O00255 1/20 0.54
HTT P42858 1/20 0.54
KMT2A Q03164 1/20 0.54
SLC1A3 P43003 1/20 0.50
SLC1A2 P43004 1/20 0.50
SLC1A1 P43005 1/20 0.50
CA2 P00918 2/20 0.47
CA1 P00915 1/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47
TMPRSS11D O60235 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 2/20 0.46
FPR1 P21462 1/20 0.46
LTA4H P09960 1/20 0.45
CA12 O43570 1/20 0.44

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
SCHEMBL17792880 1.00 ALDH1A1 (0.54) ALDH1A1MEN1HTTKMT2ASLC1A3
SCHEMBL3969628 0.90 ALDH1A1 (0.55) ALDH1A1MEN1HTTKMT2ASLC1A3
SCHEMBL15251696 0.90 ALDH1A1 (0.55) ALDH1A1MEN1HTTKMT2ASLC1A3
SCHEMBL15251810 0.90 ALDH1A1 (0.55) ALDH1A1MEN1HTTKMT2ASLC1A3
SCHEMBL17789292 0.85 ALDH1A1 (0.50) ALDH1A1MEN1HTTKMT2ASLC1A3
SCHEMBL7264766 0.83 ALDH1A1 (0.56) ALDH1A1MEN1HTTKMT2ASLC1A3
SCHEMBL18775042 0.83 CTSK (0.52) ALDH1A1MEN1HTTKMT2ACA2
SCHEMBL28367643 0.83 CTSK (0.52) ALDH1A1MEN1HTTKMT2ACA2
SCHEMBL15308906 0.81 ALDH1A1 (0.49) ALDH1A1MEN1HTTKMT2ASLC1A3
SCHEMBL15308918 0.79 ALDH1A1 (0.50) ALDH1A1MEN1HTTKMT2ASLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4826815-A HYPOTENSIVE ABBOTT LABORATORIES (US) 1989-05-02 US disclosed
US-4645759-A HYPOTENSIVE AGENTS ABBOTT LABORATORIES (US) 1987-02-24 US disclosed
EP-0172347-A2 Renin inhibiting compounds ABBOTT LABORATORIES (US) 1986-02-26 EP disclosed