SCHEMBL8705232

SCHEMBL8705232

CCOC(=O)CCc1cc(Cn2ccnc2)cc(C(C)C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 15/20 0.46
ALDH1A1 P00352 1/20 0.44
ABL1 P00519 1/20 0.44
RIN1 Q13671 1/20 0.44
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
NAMPT P43490 2/20 0.41
AGTR2 P50052 1/20 0.41

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
SCHEMBL8304735 0.87 TBXAS1 (0.61) TBXAS1ALDH1A1ABL1RIN1CYP11B1
SCHEMBL8307497 0.84 ALDH1A1 (0.47) TBXAS1ALDH1A1ABL1RIN1CYP11B1
SCHEMBL8705229 0.81 ALDH1A1 (0.45) TBXAS1ALDH1A1ABL1RIN1CYP11B1
SCHEMBL8304691 0.81 TBXAS1 (0.57) TBXAS1NAMPTAGTR2
SCHEMBL11487884 0.80 CYP11B1 (0.56) TBXAS1ALDH1A1ABL1RIN1CYP11B1
SCHEMBL11474932 0.80 TBXAS1 (0.67) TBXAS1ALDH1A1ABL1RIN1CYP11B1
SCHEMBL8707667 0.78 CYP4F2 (0.42) TBXAS1NAMPT
SCHEMBL8304913 0.76 TBXAS1 (0.45) TBXAS1ALDH1A1ABL1RIN1CYP11B1
SCHEMBL8304690 0.76 TBXAS1 (0.78) TBXAS1ALDH1A1NAMPTAGTR2
SCHEMBL8702346 0.75 TBXAS1 (0.49) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5705523-A THROMBOXANE A2 SYNTHETASE INHIBITORS PFIZER INC. (US) 1998-01-06 US disclosed