SCHEMBL8309876

SCHEMBL8309876

CC(c1cccnc1)c1cc(CCNS(=O)(=O)c2ccccc2)cc(CCC(=O)O)c1

nearest known ligand 0.86

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 19/20 0.86
TBXA2R P21731 4/20 0.54
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53

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
SCHEMBL8309678 0.93 TBXAS1 (1.00) TBXAS1TBXA2R
SCHEMBL8309142 0.89 TBXAS1 (0.70) TBXAS1TBXA2RALDH1A1
SCHEMBL8309213 0.83 TBXAS1 (1.00) TBXAS1
SCHEMBL8309896 0.81 TBXAS1 (0.80) TBXAS1TBXA2R
SCHEMBL9183046 0.81 TBXAS1 (0.80) TBXAS1TBXA2R
SCHEMBL8309534 0.80 TBXAS1 (1.00) TBXAS1TBXA2RALDH1A1MAPT
SCHEMBL9177531 0.79 TBXAS1 (0.86) TBXAS1TBXA2RALDH1A1MAPT
SCHEMBL8309357 0.78 TBXAS1 (0.58) TBXAS1TBXA2RALDH1A1MAPT
SCHEMBL8310769 0.77 TBXAS1 (1.00) TBXAS1
SCHEMBL8309360 0.77 SMN1; SMN2 (0.55) 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
EP-0579618-B1 PYRIDINE- AND IMIDAZOLE-DERIVED AGENTS FOR CARDIOVASCULAR DISEASES PFIZER LTD (GB) 1999-10-13 EP disclosed
US-5705523-A THROMBOXANE A2 SYNTHETASE INHIBITORS PFIZER INC. (US) 1998-01-06 US disclosed
US-5457118-A Pyridine derived agents for cardiovascular diseases PFIZER INC. (US) 1995-10-10 US disclosed