SCHEMBL11063442

SCHEMBL11063442

O=C(O)COc1ccc(Cc2cccnc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 14/20 0.62
LTA4H P09960 2/20 0.53
NAPRT Q6XQN6 1/20 0.53
KDM4E B2RXH2 1/20 0.50
ALOX15 P16050 1/20 0.50
TRPM8 Q7Z2W7 1/20 0.49

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
Hydrochloric Acid SCHEMBL11068513 0.99 TBXAS1 (0.63) TBXAS1LTA4HNAPRTKDM4E
SCHEMBL5004504 0.84 ALOX15 (0.70) TBXAS1LTA4HALOX15
SCHEMBL11066918 0.82 TSHR (0.65) TBXAS1LTA4HTRPM8
SCHEMBL8853482 0.80 TBXAS1 (0.59) TBXAS1LTA4HNAPRT
SCHEMBL11068319 0.80 NAPRT (0.77) TBXAS1NAPRT
SCHEMBL2009003 0.79 ALOX15 (0.62) NAPRTALOX15
SCHEMBL9310930 0.79 PLOD2 (0.50) TBXAS1KDM4EALOX15
SCHEMBL10660572 0.79 LTA4H (0.63) TBXAS1LTA4H
SCHEMBL15785422 0.79 CYP3A4 (0.59) ALOX15
Hydrochloric Acid SCHEMBL11059321 0.78 NAPRT (0.74) TBXAS1NAPRT

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