SCHEMBL7312810

SCHEMBL7312810

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.56
NR4A2 P43354 1/20 0.56
NR4A3 Q92570 1/20 0.56
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
TBXAS1 P24557 2/20 0.41
SLC7A5 Q01650 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38

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
SCHEMBL109451 0.81 CA1 (0.61) CA12CA1CA2CA9CA14
SCHEMBL5694633 0.80 CA12 (0.42) CA12CA1CA2CA9CA14
SCHEMBL5694636 0.80 CA12 (0.42) CA12CA1CA2CA9CA14
SCHEMBL4517212 0.77 CA12 (0.54) CA12CA1CA2CA9CA14
SCHEMBL527251 0.77 CA1 (0.54) CA12CA1CA2CA9CA14
Hydrazine SCHEMBL10771056 0.77 CA12 (0.62) CA12CA1CA2CA9CA14
SCHEMBL7316722 0.77 ALDH1A1 (0.46) CA12CA1CA2CA9CA14
SCHEMBL2004117 0.77 NR4A1 (0.71) NR4A1NR4A2NR4A3CA1CA2
SCHEMBL4000593 0.77 NR4A1 (0.71) NR4A1NR4A2NR4A3CA1CA2
SCHEMBL2004119 0.77 NR4A1 (0.71) NR4A1NR4A2NR4A3CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6388122-B1 ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES ONO PHARMACEUTICAL CO., LTD. (JP) 2002-05-14 US disclosed
US-5622984-A INHIBITORS OF PHOSPHOLIPASE, VARIOUS PROTEASES ONO PHARMACEUTICAL COMPANY, LIMITED (JP) 1997-04-22 US disclosed
US-5614555-A Amidinophenol derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1997-03-25 US disclosed
EP-0588655-B1 Amidinophenol derivatives ONO PHARMACEUTICAL CO (JP) 1996-12-04 EP disclosed
US-5432178-A Substituted benzoic acid esters; use to prevent or treat inflammatory diseases, allergic diseases, disseminated intravascular coagulation, pancreatitis or multiple organ failure ONO PHARMACEUTICAL CO., LTD. (JP) 1995-07-11 US disclosed
EP-0588655-A1 Amidinophenol derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1994-03-23 EP disclosed