SCHEMBL8306646

SCHEMBL8306646

COC(=O)CCCc1cc(CCC(=O)O)cc(Cc2cccnc2)c1

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 20/20 0.64

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
SCHEMBL8307381 0.87 TBXAS1 (0.50) TBXAS1
SCHEMBL8707366 0.86 TBXAS1 (0.48) TBXAS1
SCHEMBL8306642 0.84 TBXAS1 (0.57) TBXAS1
SCHEMBL6642234 0.84 TBXAS1 (0.60) TBXAS1
SCHEMBL8307393 0.82 TBXAS1 (0.62) TBXAS1
SCHEMBL8308559 0.81 TBXAS1 (0.58) TBXAS1
SCHEMBL10972402 0.80 TBXAS1 (0.68) TBXAS1
SCHEMBL6642146 0.79 TBXAS1 (0.68) TBXAS1
SCHEMBL6642413 0.79 TBXAS1 (0.68) TBXAS1
SCHEMBL8306388 0.78 TBXAS1 (1.00) TBXAS1

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