SCHEMBL11068720

SCHEMBL11068720

CCOC(OCC)c1ccc(C(O)c2cccnc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.60
CYP17A1 P05093 1/20 0.55
LMNA P02545 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
GAA P10253 2/20 0.48
TSHR P16473 1/20 0.44
GRM2 Q14416 1/20 0.41
SLC6A2 P23975 4/20 0.40
SLC6A4 P31645 4/20 0.40
SLC6A3 Q01959 4/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2D6 P10635 3/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
PTGS2 P35354 1/20 0.40
PDE4D Q08499 1/20 0.40
CFTR P13569 1/20 0.39
GOPC Q9HD26 1/20 0.39
BRD4 O60885 1/20 0.38
CYP19A1 P11511 1/20 0.38

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
SCHEMBL6205340 0.85 SLC6A2 (0.47) SMN1; SMN2LMNAL3MBTL1GAASLC6A2
SCHEMBL9311555 0.83 SMN1; SMN2 (0.66) SMN1; SMN2CYP17A1LMNAL3MBTL1GAA
SCHEMBL2608570 0.79 SMN1; SMN2 (0.51) SMN1; SMN2CYP17A1LMNAL3MBTL1GAA
SCHEMBL11068717 0.79 SMN1; SMN2 (0.49) SMN1; SMN2CYP17A1LMNAL3MBTL1GAA
SCHEMBL1242879 0.78 SMN1; SMN2 (0.87) SMN1; SMN2CYP17A1LMNAL3MBTL1GAA
SCHEMBL12925891 0.77 SMN1; SMN2 (0.72) SMN1; SMN2CYP17A1LMNAL3MBTL1GAA
SCHEMBL1000233 0.77 SMN1; SMN2 (0.72) SMN1; SMN2CYP17A1LMNAL3MBTL1GAA
SCHEMBL11071589 0.77 GAA (0.42) SMN1; SMN2CYP17A1LMNAL3MBTL1GAA
SCHEMBL8318114 0.77 SMN1; SMN2 (0.57) SMN1; SMN2CYP17A1LMNAL3MBTL1GAA
SCHEMBL10966183 0.76 SMN1; SMN2 (0.66) SMN1; SMN2CYP17A1LMNAL3MBTL1GAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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