SCHEMBL8885138

SCHEMBL8885138

COC(=O)CCC/C=C(\c1cccnc1)c1ccc2c(c1)CC(NS(=O)(=O)c1ccccc1)C2

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 20/20 0.75
TBXA2R P21731 16/20 0.75

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
SCHEMBL8885147 1.00 TBXAS1 (0.75) TBXAS1TBXA2R
SCHEMBL8882887 0.93 TBXAS1 (0.75) TBXAS1TBXA2R
SCHEMBL8881946 0.93 TBXAS1 (0.72) TBXAS1TBXA2R
SCHEMBL8884568 0.93 TBXAS1 (0.72) TBXAS1TBXA2R
SCHEMBL8884381 0.93 TBXAS1 (0.84) TBXAS1TBXA2R
SCHEMBL8882883 0.93 TBXAS1 (0.75) TBXAS1TBXA2R
SCHEMBL8884390 0.93 TBXAS1 (0.84) TBXAS1TBXA2R
SCHEMBL8884275 0.91 TBXAS1 (0.69) TBXAS1TBXA2R
SCHEMBL8884280 0.91 TBXAS1 (0.69) TBXAS1TBXA2R
SCHEMBL8884512 0.91 TBXAS1 (0.71) TBXAS1TBXA2R

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-5681961-A TREATMENT AND/OR PREVENTION OF THROMBOEMBOLIC DISORDERS, ARTERIOSCLEROSIS, METASTASIS. ISCHEMIA, ASTHMA, ALLERGIES DR. KARL THOMAE GMBH (DE) 1997-10-28 US disclosed
US-5426119-A Thromboxane antagonists DR. KARL THOMAE GMBH (DE) 1995-06-20 US disclosed
US-5294626-A Thromboxane synthesis inhibitors and anticoagulants DR. KARL THOMAS GMBH (DE) 1994-03-15 US disclosed