SCHEMBL7312807

SCHEMBL7312807

C/C(=C\c1ccc(C(=O)OC(C)(C)C)cc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.53
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
MAPT P10636 1/20 0.41
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
GLA P06280 1/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TBXAS1 P24557 5/20 0.39
SLC7A5 Q01650 1/20 0.39
RARA P10276 2/20 0.38
RARB P10826 2/20 0.38
RARG P13631 2/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL7312808 1.00 AKR1C3 (0.53) AKR1C3CA12CA1CA2CA9
SCHEMBL8184665 0.81 ALDH1A1 (0.59) AKR1C3CA12CA1CA2CA9
SCHEMBL5797759 0.81 ALDH1A1 (0.59) AKR1C3CA12CA1CA2CA9
SCHEMBL7314601 0.81 MAPT (0.48) CA12CA1CA2CA9CA14
SCHEMBL7314607 0.81 MAPT (0.48) CA12CA1CA2CA9CA14
SCHEMBL9339908 0.79 CA1 (0.51) CA12CA1CA2CA9CA14
SCHEMBL9338284 0.79 CA1 (0.51) CA12CA1CA2CA9CA14
SCHEMBL11858178 0.79 CA1 (0.51) CA12CA1CA2CA9CA14
SCHEMBL7708755 0.79 CA1 (0.51) CA12CA1CA2CA9CA14
SCHEMBL9805541 0.79 CA1 (0.51) 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 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