SCHEMBL8884466

SCHEMBL8884466

O=C(O)C/C=C/CC(c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 18/20 0.72
TBXA2R P21731 12/20 0.72
ADRB2 P07550 1/20 0.51
ADRB1 P08588 1/20 0.51
ADRB3 P13945 1/20 0.51

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
SCHEMBL8884472 1.00 TBXAS1 (0.72) TBXAS1TBXA2RADRB2ADRB1ADRB3
SCHEMBL8882148 0.84 TBXAS1 (1.00) TBXAS1TBXA2R
SCHEMBL8883679 0.83 TBXAS1 (1.00) TBXAS1TBXA2R
SCHEMBL8883236 0.79 TBXAS1 (0.84) TBXAS1TBXA2R
SCHEMBL8884653 0.76 TBXAS1 (0.83) TBXAS1TBXA2R
SCHEMBL9183046 0.76 TBXAS1 (0.80) TBXAS1TBXA2R
SCHEMBL8882539 0.75 TBXAS1 (0.83) TBXAS1TBXA2R
SCHEMBL8882712 0.74 TBXAS1 (0.83) TBXAS1TBXA2R
SCHEMBL8884111 0.74 TBXAS1 (0.83) TBXAS1TBXA2R
SCHEMBL8309678 0.74 TBXAS1 (1.00) 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