SCHEMBL8308674

SCHEMBL8308674

CCOC(=O)CCc1cc(CCNC(=O)OC(C)(C)C)cc(Oc2cccnc2)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 5/20 0.49
CYP3A4 P08684 5/20 0.46
IDO1 P14902 1/20 0.42
NAMPT P43490 1/20 0.40
P2RX3 P56373 2/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 2/20 0.37
GLA P06280 1/20 0.36

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
SCHEMBL8305260 0.89 TBXAS1 (0.48) TBXAS1P2RX3RAB9AALDH1A1
SCHEMBL8307372 0.87 TBXAS1 (0.53) TBXAS1CYP3A4ALDH1A1
SCHEMBL8309682 0.82 TBXAS1 (0.60) TBXAS1P2RX3
SCHEMBL8307041 0.81 TBXAS1 (0.49) TBXAS1P2RX3RAB9AALDH1A1
SCHEMBL8309155 0.81 CYP17A1 (0.47) TBXAS1CYP3A4NAMPTCA1CA2
SCHEMBL8309271 0.79 TBXAS1 (0.79) TBXAS1ALDH1A1
SCHEMBL4495406 0.78 CYP4F2 (0.56) IDO1NAMPTCA1CA2RAB9A
SCHEMBL8707244 0.78 TBXAS1 (0.46) TBXAS1P2RX3RAB9AKMT2A
SCHEMBL8306671 0.77 TBXAS1 (0.79) TBXAS1
SCHEMBL10663180 0.76 CYP4F2 (0.54) TBXAS1P2RX3

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 4 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
EP-0790986-B1 ANILINE DERIVATIVES ZENECA LTD (GB) 1999-01-20 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