SCHEMBL7312402

SCHEMBL7312402

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
SLC7A5 Q01650 1/20 0.42
TMPRSS6 Q8IU80 3/20 0.39
F2 P00734 3/20 0.39
ALOX15 P16050 1/20 0.38
CPN1 P15169 1/20 0.37
CPB2 Q96IY4 1/20 0.37
STAT3 P40763 2/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GABRA1 P14867 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
SCHEMBL2109953 0.88 CA12 (0.47) CA12CA1CA2CA9CA14
SCHEMBL1003574 0.78 SLC7A5 (0.49) CA12CA1CA2CA9CA14
SCHEMBL4309559 0.78 MMP8 (0.44) CA12CA1CA2CA9CA14
SCHEMBL1754283 0.78 CA12 (0.47) CA12CA1CA2CA9CA14
SCHEMBL4900034 0.77 CA12 (0.54) CA12CA1CA2CA9CA14
SCHEMBL28619548 0.76 LMNA (0.47) CA12CA1CA2CA9CA14
SCHEMBL8570054 0.76 NR1H4 (0.50) CA12CA1CA2CA9CA14
SCHEMBL29240028 0.76 CA12 (0.53) CA12CA1CA2CA9CA14
SCHEMBL4303852 0.75 CA12 (0.49) CA12CA1CA2CA9CA14
SCHEMBL1754323 0.75 ALDH1A1 (0.47) CA12CA1CA2CA9CA14

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-5561112-A ADMINISTERING SMALL SYNTHETIC PEPTIDES(SIMILAR TO GLYCINE-ASPARTIC ACID) TO SUPPRESS THROMBOSIS SANDOZ LTD. (CH) 1996-10-01 US disclosed
EP-0560730-B1 New derivatives of beta-amino acids with anti-thrombotic activity SANDOZ LTD (CH) 1996-09-11 EP disclosed
EP-0560730-A2 New derivatives of beta-amino acids with anti-thrombotic activity SANDOZ LTD. (CH) 1993-09-15 EP disclosed