SCHEMBL9873970

SCHEMBL9873970

O=C(O)CC1C(NC(=O)OCc2ccccc2)[C@H]2CC[C@H]1C2

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CPB1 P15086 2/20 0.53
▸ ALDH1A1 P00352 3/20 0.52
▸ GAA P10253 1/20 0.52
▸ TSHR P16473 1/20 0.50
▸ EPHX1 P07099 1/20 0.47
▸ CTSL P07711 1/20 0.46
▸ CTSB P07858 1/20 0.46
▸ CTSK P43235 1/20 0.46
▸ TLR4 O00206 1/20 0.45
▸ NAAA Q02083 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ HSD11B1 P28845 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 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
SCHEMBL9875723 0.89 CPB1 (0.54) CPB1ALDH1A1GAATSHREPHX1
SCHEMBL9533919 0.88 ALDH1A1 (0.50) CPB1ALDH1A1GAATSHREPHX1
SCHEMBL9533915 0.88 ALDH1A1 (0.50) CPB1ALDH1A1GAATSHREPHX1
SCHEMBL10429964 0.88 ALDH1A1 (0.50) CPB1ALDH1A1GAATSHREPHX1
SCHEMBL29739718 0.87 CPB1 (0.54) CPB1ALDH1A1GAATSHREPHX1
SCHEMBL29739843 0.87 CPB1 (0.54) CPB1ALDH1A1GAATSHREPHX1
SCHEMBL29739737 0.84 ALDH1A1 (0.54) CPB1ALDH1A1GAATSHREPHX1
SCHEMBL29739725 0.84 ALDH1A1 (0.54) CPB1ALDH1A1GAATSHREPHX1
SCHEMBL9874934 0.84 ALDH1A1 (0.49) CPB1ALDH1A1GAATSHREPHX1
SCHEMBL9539102 0.84 ALDH1A1 (0.51) CPB1ALDH1A1GAATSHREPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5043451-A Bicyclo (2.2.1.) hept-exo-2-yl and bicyclo (2.2.2.) oct-endo-2-yl compounds SHIONOGI & CO., LTD. (JP) 1991-08-27 — — US disclosed
US-5043456-A 6-oxa and thiabicyclo [3.1.0.] compounds SHIONOGI & CO., LTD. (JP) 1991-08-27 — — US disclosed
US-5041635-A 5(Z)-7-(endo-3-benzenesulfonamidobicyclo[2.2.1]hept-exo-2-yl)-5-heptenoic acid, sodium salt SHIONOGI & CO., LTD. (JP) 1991-08-20 — — US disclosed
EP-0226346-B1 BICYCLIC SULFONAMIDE DERIVATIVES SHIONOGI & CO., LTD. (JP) 1991-08-14 — — EP disclosed
US-4976891-A Antithrombotic, antivasoconstricting, antibronchoconstricting SHIONOGI & CO., LTD. (JP) 1990-12-11 — — US disclosed
US-4960909-A ANTICOAGULANTS; VASODILATORS; BRONCHODILATOR AGENTS SHIONOGI & CO., LTD. (JP) 1990-10-02 — — US disclosed
US-4861913-A Bicyclic sulfonamide derivatives SHIONOGI & CO., LTD. (JP) 1989-08-29 — — US disclosed
EP-0226346-A1 Bicyclic sulfonamide derivatives SHIONOGI & CO., LTD. (JP) 1987-06-24 — — EP disclosed
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