SCHEMBL9876032

SCHEMBL9876032

O=CCC1C2CCC(O2)C1NC(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ TSHR P16473 1/20 0.46
▸ CPB1 P15086 2/20 0.45
▸ EPHX1 P07099 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CTSL P07711 1/20 0.42
▸ CTSB P07858 1/20 0.42
▸ CTSK P43235 1/20 0.42
▸ NAAA Q02083 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL9875439 0.89 ALDH1A1 (0.51) ALDH1A1GAATSHRCPB1EPHX1
SCHEMBL9877215 0.83 ALDH1A1 (0.50) ALDH1A1GAATSHRCPB1EPHX1
SCHEMBL9875332 0.83 ALDH1A1 (0.50) ALDH1A1GAATSHRCPB1EPHX1
SCHEMBL9533915 0.81 ALDH1A1 (0.50) ALDH1A1GAATSHRCPB1EPHX1
SCHEMBL10429964 0.81 ALDH1A1 (0.50) ALDH1A1GAATSHRCPB1EPHX1
SCHEMBL9533919 0.81 ALDH1A1 (0.50) ALDH1A1GAATSHRCPB1EPHX1
SCHEMBL3223998 0.81 ALDH1A1 (0.55) ALDH1A1GAATSHRCPB1EPHX1
SCHEMBL25641905 0.81 ALDH1A1 (0.55) ALDH1A1GAATSHRCPB1EPHX1
SCHEMBL4386438 0.81 ALDH1A1 (0.55) ALDH1A1GAATSHRCPB1EPHX1
SCHEMBL8759021 0.78 CPB1 (0.57) ALDH1A1GAATSHRCPB1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5043456-A 6-oxa and thiabicyclo [3.1.0.] compounds SHIONOGI & CO., LTD. (JP) 1991-08-27 — — US disclosed
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-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
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