SCHEMBL8885296

SCHEMBL8885296

CC(=O)NC1Cc2ccc(C(=CCCCCOC=O)c3cccnc3)cc2C1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 20/20 0.52
TBXA2R P21731 3/20 0.52

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
SCHEMBL10444781 0.88 TBXAS1 (0.55) TBXAS1TBXA2R
SCHEMBL9208561 0.87 TBXAS1 (0.65) TBXAS1TBXA2R
SCHEMBL8885287 0.87 TBXAS1 (0.65) TBXAS1TBXA2R
Charcoal, Activated SCHEMBL10444782 0.87 TBXAS1 (0.55) TBXAS1TBXA2R
Bicarbonate SCHEMBL9208564 0.86 TBXAS1 (0.57) TBXAS1TBXA2R
SCHEMBL8883856 0.86 TBXAS1 (0.68) TBXAS1TBXA2R
SCHEMBL8883848 0.86 TBXAS1 (0.68) TBXAS1TBXA2R
SCHEMBL9206563 0.76 CA1 (0.48) TBXAS1TBXA2R
SCHEMBL10616378 0.75 TBXAS1 (0.68) TBXAS1TBXA2R
SCHEMBL10616387 0.75 TBXAS1 (0.68) 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