SCHEMBL9768486

SCHEMBL9768486

O=C(O)COc1ccc(CCCS(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 2/20 0.55
ALDH1A1 P00352 3/20 0.54
TBXA2R P21731 1/20 0.50
TBXAS1 P24557 1/20 0.50
SGMS1 Q86VZ5 2/20 0.48
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA4 P22748 2/20 0.47
CA9 Q16790 2/20 0.47
MMP1 P03956 1/20 0.46
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
PPARG P37231 1/20 0.45

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
SCHEMBL9813770 0.96 PTGIR (0.54) PTGIRALDH1A1TBXA2RTBXAS1SGMS1
SCHEMBL9813734 0.88 TBXA2R (0.64) PTGIRALDH1A1TBXA2RTBXAS1PSEN1
SCHEMBL9813798 0.87 PTGIR (0.55) PTGIRALDH1A1TBXA2RTBXAS1SGMS1
SCHEMBL9813754 0.86 TBXA2R (0.55) ALDH1A1TBXA2RTBXAS1PSEN1PSEN2
SCHEMBL9813812 0.85 PPARA (0.57) PTGIRCA12CA1CA2CA4
SCHEMBL9768506 0.83 SGMS1 (0.58) ALDH1A1TBXA2RTBXAS1SGMS1GAA
SCHEMBL3250400 0.82 TBXA2R (0.62) ALDH1A1TBXA2RCA12CA1CA2
SCHEMBL9813750 0.82 PPARA (0.59) PTGIRCA12CA1CA2CA4
SCHEMBL9813773 0.81 TBXA2R (0.65) PTGIRALDH1A1TBXA2RTBXAS1PPARG
SCHEMBL9768505 0.80 ADAM17 (0.47) ALDH1A1MMP1GAAPPARGPPARA

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-5070099-A THROMBOXANE ANTAGONISTS E. R. SQUIBB & SONS, INC. (US) 1991-12-03 US claimed
EP-0301421-B1 SULFUR COMPOUNDS, PROCESS FOR THEIR PREPARATION AND MEDICINES Roche Diagnostics GmbH (DE) 1991-08-28 EP claimed
US-5006542-A Cardiovascular agents E. R. SQUIBB & SONS, INC. (US) 1991-04-09 US claimed
EP-0301421-A2 Sulfur compounds, process for their preparation and medicines Roche Diagnostics GmbH (DE) 1989-02-01 EP claimed
US-5070099-A THROMBOXANE ANTAGONISTS E. R. SQUIBB & SONS, INC. (US) 1991-12-03 US disclosed
EP-0301421-B1 SULFUR COMPOUNDS, PROCESS FOR THEIR PREPARATION AND MEDICINES Roche Diagnostics GmbH (DE) 1991-08-28 EP disclosed
US-5006542-A Cardiovascular agents E. R. SQUIBB & SONS, INC. (US) 1991-04-09 US disclosed
EP-0301421-A2 Sulfur compounds, process for their preparation and medicines Roche Diagnostics GmbH (DE) 1989-02-01 EP disclosed