SCHEMBL8304255

SCHEMBL8304255

CCOC(=O)CCc1cc(CCNS(=O)(=O)c2ccccc2)cc(C(O)c2cccnc2C)c1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 13/20 0.47
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
TBXA2R P21731 1/20 0.40

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
SCHEMBL8308752 0.92 TBXAS1 (0.56) TBXAS1TBXA2R
SCHEMBL8309357 0.90 TBXAS1 (0.58) TBXAS1ALDH1A1MAPTTBXA2R
SCHEMBL8307940 0.87 CYP4F2 (0.43) ALDH1A1LMNAMAPT
SCHEMBL8304781 0.85 PPARG (0.40) TBXAS1LMNA
SCHEMBL8310033 0.83 HDAC3 (0.42) LMNAMAPT
SCHEMBL9183036 0.83 TBXAS1 (0.66) TBXAS1TBXA2R
SCHEMBL8308677 0.82 CYP4F2 (0.39) ALDH1A1LMNAMAPT
SCHEMBL8309142 0.81 TBXAS1 (0.70) TBXAS1ALDH1A1LMNATBXA2R
SCHEMBL8306769 0.79 TBXAS1 (0.63) TBXAS1ALDH1A1LMNATDP1
SCHEMBL11106768 0.79 ALDH1A1 (0.64) TBXAS1ALDH1A1LMNAMAPTTDP1

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 2 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-5457118-A Pyridine derived agents for cardiovascular diseases PFIZER INC. (US) 1995-10-10 US disclosed