Sugi Predict

Sugi Predict / Compounds / SCHEMBL9263170

SCHEMBL9263170

SCHEMBL9263170

Cc1ccc(OC(C)(C)C2OCC(C/C=C\CCC(=O)O)C(c3cncs3)O2)c([N+](=O)[O-])c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 19/20 1.00
▸ TBXA2R P21731 4/20 1.00
▸ PTGIS Q16647 11/20 0.77

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
SCHEMBL9262311 0.93 TBXAS1 (0.87) TBXAS1TBXA2RPTGIS
SCHEMBL9267358 0.93 TBXAS1 (0.87) TBXAS1TBXA2RPTGIS
SCHEMBL9459521 0.93 TBXAS1 (0.87) TBXAS1TBXA2RPTGIS
SCHEMBL9765855 0.87 TBXAS1 (1.00) TBXAS1TBXA2RPTGIS
SCHEMBL9765856 0.87 TBXAS1 (1.00) TBXAS1TBXA2RPTGIS
SCHEMBL3518907 0.73 TBXAS1 (1.00) TBXAS1TBXA2RPTGIS
SCHEMBL9035683 0.73 TBXAS1 (1.00) TBXAS1TBXA2RPTGIS
SCHEMBL3518900 0.73 TBXAS1 (1.00) TBXAS1TBXA2RPTGIS
SCHEMBL9765895 0.70 TBXAS1 (0.85) TBXAS1TBXA2RPTGIS
SCHEMBL9765884 0.70 TBXAS1 (1.00) TBXAS1PTGIS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5410064-A Thromboxane A2 antagonists and inhibitors of thromboxane A2 synthase IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-04-25 — — US disclosed
US-5219874-A Heterocyclic acids IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-15 — — US disclosed
EP-0482771-A2 Heterocyclic acids ZENECA LIMITED (GB) 1992-04-29 — — EP disclosed