SCHEMBL11066554

SCHEMBL11066554

CC(C)(Sc1ccc(Cc2cccnc2)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 16/20 0.55
SLC22A12 Q96S37 3/20 0.50
NAPRT Q6XQN6 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
Hydrochloric Acid SCHEMBL11062463 0.99 TBXAS1 (0.56) TBXAS1SLC22A12NAPRT
SCHEMBL11066572 0.84 TBXAS1 (0.46) TBXAS1
SCHEMBL11068494 0.79 TBXAS1 (0.58) TBXAS1NAPRT
Hydrochloric Acid SCHEMBL11066261 0.78 TBXAS1 (0.59) TBXAS1NAPRT
SCHEMBL11070290 0.76 TBXAS1 (0.62) TBXAS1NAPRT
SCHEMBL11063546 0.76 PPARA (0.56) TBXAS1
SCHEMBL11060943 0.76 TBXAS1 (0.65) TBXAS1NAPRT
Hydrochloric Acid SCHEMBL11065642 0.75 TBXAS1 (0.63) TBXAS1NAPRT
SCHEMBL11062589 0.75 SMN1; SMN2 (0.56) TBXAS1SLC22A12
Hydrochloric Acid SCHEMBL11063651 0.75 TBXAS1 (0.56) TBXAS1

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