SCHEMBL11065724

SCHEMBL11065724

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
L3MBTL1 Q9Y468 4/20 0.46
LMNA P02545 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP17A1 P05093 1/20 0.45
ITGB3 P05106 3/20 0.43
ITGAV P06756 3/20 0.43
GAA P10253 2/20 0.42
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PRNP P04156 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
SCHEMBL11062344 0.81 LMNA (0.49) SMN1; SMN2L3MBTL1LMNACYP1A2CYP3A4
SCHEMBL11058711 0.80 CYP3A4 (0.55) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11063145 0.79 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1LMNACYP17A1ITGB3
SCHEMBL18183273 0.75 SMN1; SMN2 (0.49) SMN1; SMN2L3MBTL1LMNACYP1A2CYP3A4
SCHEMBL10827291 0.75 SMN1; SMN2 (0.51) SMN1; SMN2L3MBTL1LMNACYP17A1GAA
SCHEMBL1605240 0.75 CYP19A1 (0.56) SMN1; SMN2L3MBTL1LMNACYP1A2CYP3A4
SCHEMBL11064337 0.75 CYP4F2 (0.51) SMN1; SMN2L3MBTL1LMNACYP17A1GAA
SCHEMBL17027482 0.74 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1LMNACYP1A2CYP3A4
SCHEMBL11062427 0.74 CA12 (0.52) SMN1; SMN2L3MBTL1LMNACYP3A4CYP17A1
SCHEMBL11062433 0.74 CA12 (0.52) SMN1; SMN2L3MBTL1LMNACYP3A4CYP17A1

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