SCHEMBL11065098

SCHEMBL11065098

CCOC(=O)C(C)Oc1ccc(Cc2cccnc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
TBXAS1 P24557 12/20 0.54
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
GRM2 Q14416 1/20 0.52
POLB P06746 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.45
LTA4H P09960 1/20 0.45
EPHX2 P34913 1/20 0.45

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
SCHEMBL11068453 0.86 TBXAS1 (0.65) TBXAS1HTTSMN1; SMN2POLBHPGD
SCHEMBL10950111 0.85 TBXAS1 (0.49) LMNATBXAS1HTTSMN1; SMN2POLB
Hydrochloric Acid SCHEMBL11066732 0.85 TBXAS1 (0.66) TBXAS1HTTSMN1; SMN2POLBHPGD
SCHEMBL1974134 0.83 GRM2 (0.53) LMNAL3MBTL1HTTSMN1; SMN2GRM2
SCHEMBL11059401 0.82 TBXAS1 (0.71) LMNATBXAS1
SCHEMBL11068161 0.82 MAPT (0.53) LMNAL3MBTL1HTTSMN1; SMN2GRM2
SCHEMBL11067529 0.79 TBXAS1 (0.53) L3MBTL1TBXAS1KMT2ALTA4H
SCHEMBL11058711 0.79 CYP3A4 (0.55) LMNATBXAS1KMT2A
SCHEMBL11626154 0.79 EPHX2 (0.66) LMNAL3MBTL1HPGDKMT2AEPHX2
SCHEMBL11066918 0.79 TSHR (0.65) LMNATBXAS1SMN1; SMN2GRM2POLB

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