SCHEMBL11064337

SCHEMBL11064337

CCOC(=O)CCc1ccc(C(O)c2cccnc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.51
CYP4A11 Q02928 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP17A1 P05093 1/20 0.46
CYP4Z1 Q86W10 1/20 0.45
GAA P10253 1/20 0.43
TBXAS1 P24557 5/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SYK P43405 1/20 0.40
ADRB3 P13945 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL11083416 0.88 CYP4F2 (0.51) CYP4F2CYP4A11LMNACYP4Z1TBXAS1
SCHEMBL11071953 0.82 SMN1; SMN2 (0.61) SMN1; SMN2LMNAL3MBTL1CYP17A1TBXAS1
Hydrochloric Acid SCHEMBL11067245 0.81 TBXAS1 (0.62) SMN1; SMN2LMNAL3MBTL1CYP17A1TBXAS1
SCHEMBL3957320 0.80 CYP4F2 (0.55) CYP4F2CYP4A11L3MBTL1TBXAS1ALDH1A1
SCHEMBL5068360 0.80 CYP4F2 (0.56) CYP4F2CYP4A11LMNACYP4Z1SYK
SCHEMBL11062768 0.80 TBXAS1 (0.66) CYP4F2CYP4A11LMNACYP4Z1TBXAS1
SCHEMBL11062344 0.80 LMNA (0.49) SMN1; SMN2LMNAL3MBTL1CYP17A1GAA
SCHEMBL11143762 0.79 CYP4F2 (0.59) CYP4F2CYP4A11CYP4Z1GAA
Hydrochloric Acid SCHEMBL27552763 0.79 CYP4F2 (0.54) CYP4F2CYP4A11L3MBTL1TBXAS1ALDH1A1
Hydrochloric Acid SCHEMBL18230734 0.79 CYP4F2 (0.54) CYP4F2CYP4A11L3MBTL1TBXAS1ALDH1A1

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
US-4271170-A THROMBOXANE SYNTHETASE ENZYME INHIBITOR USEFUL IN TREATING INFLAMMATION, HYPERTENSION, THROMBUS, CEREBRAL APOPLEXY, ASTHMA, AND CARDIOVASCULAR DISORDERS ONO PHARMACEUTICAL CO., LTD., (JP) 1981-06-02 US claimed
US-4427682-A ANTICOAGULANTS, ANTIINFLAMMATORY, HYPOTENSIVE, OR ANTIALLERGEN AGENTS ONO PHARMACEUTICAL CO., LTD. (JP) 1984-01-24 US disclosed
US-4317828-A ANTIINFLAMMATORY AGENTS, HYPOTENSIVE AGENTS ONO PHARMACEUTICAL CO., LTD. (JP) 1982-03-02 US disclosed
US-4271170-A THROMBOXANE SYNTHETASE ENZYME INHIBITOR USEFUL IN TREATING INFLAMMATION, HYPERTENSION, THROMBUS, CEREBRAL APOPLEXY, ASTHMA, AND CARDIOVASCULAR DISORDERS ONO PHARMACEUTICAL CO., LTD., (JP) 1981-06-02 US disclosed