SCHEMBL9875944

SCHEMBL9875944

CC1(C)[C@H]2C[C@@H](NS(=O)(=O)c3ccccc3)[C@H](CCO)[C@@H]1C2

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 6/20 0.56
NAMPT P43490 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
TBXA2R P21731 3/20 0.40
PTGIR P43119 1/20 0.40
ALDH1A1 P00352 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
MMP14 P50281 1/20 0.39
CNR1 P21554 1/20 0.37
MCOLN2 Q8IZK6 1/20 0.37
MCOLN1 Q9GZU1 1/20 0.37
G6PD P11413 1/20 0.37
GFER P55789 1/20 0.37

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
SCHEMBL9875931 1.00 PTGDR (0.56) PTGDRNAMPTTDP1TBXA2RPTGIR
SCHEMBL9877710 0.83 PTGDR (0.61) PTGDRNAMPTTDP1TBXA2RPTGIR
SCHEMBL9875859 0.83 PTGDR (0.61) PTGDRNAMPTTDP1TBXA2RPTGIR
SCHEMBL9874234 0.77 MMP2 (0.43) TBXA2RALDH1A1NPSR1MMP2MMP9
SCHEMBL8105026 0.77 PTGDR (0.90) PTGDRTBXA2RPTGIR
SCHEMBL8106697 0.77 PTGDR (0.90) PTGDRTBXA2RPTGIR
SCHEMBL9877787 0.77 PTGDR (0.90) PTGDRTBXA2RPTGIR
SCHEMBL7715156 0.77 PTGDR (0.90) PTGDRTBXA2RPTGIR
SCHEMBL9877786 0.77 PTGDR (0.90) PTGDRTBXA2RPTGIR
SCHEMBL9874981 0.77 PTGDR (0.44) PTGDRTBXA2RALDH1A1NPSR1MMP2

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