SCHEMBL11063145

SCHEMBL11063145

CCOC(=O)C(C)(C)Sc1ccc(C(O)c2cccnc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP17A1 P05093 1/20 0.43
GAA P10253 3/20 0.40
MAPK1 P28482 2/20 0.39
ITGB3 P05106 2/20 0.38
ITGAV P06756 2/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
ALOX12 P18054 1/20 0.36
MPI P34949 1/20 0.36
ESR2 Q92731 1/20 0.36
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL11062589 0.83 SMN1; SMN2 (0.56) SMN1; SMN2LMNAL3MBTL1CYP17A1GAA
Hydrochloric Acid SCHEMBL11065299 0.82 SMN1; SMN2 (0.55) SMN1; SMN2LMNAL3MBTL1CYP17A1GAA
SCHEMBL11066572 0.79 TBXAS1 (0.46) SMN1; SMN2MAPK1ALDH1A1
SCHEMBL11065724 0.79 SMN1; SMN2 (0.48) SMN1; SMN2LMNAL3MBTL1CYP17A1GAA
SCHEMBL11062344 0.79 LMNA (0.49) SMN1; SMN2LMNAL3MBTL1CYP17A1GAA
SCHEMBL10570182 0.76 TP53 (0.45) GAAALDH1A1MAPTTP53TSHR
SCHEMBL11064337 0.73 CYP4F2 (0.51) SMN1; SMN2LMNAL3MBTL1CYP17A1GAA
SCHEMBL1465616 0.73 ALDH1A1 (0.46) SMN1; SMN2GAAALDH1A1MAPTTP53
SCHEMBL1464689 0.73 PIN1 (0.50) SMN1; SMN2LMNAGAAALDH1A1MAPT
SCHEMBL1463714 0.72 TP53 (0.45) SMN1; SMN2LMNAMAPK1KDM4EALDH1A1

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-4317828-A ANTIINFLAMMATORY AGENTS, HYPOTENSIVE AGENTS ONO PHARMACEUTICAL CO., LTD. (JP) 1982-03-02 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