SCHEMBL11061432

SCHEMBL11061432

CC(=Cc1ccc(Cc2ccncc2)cc1)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 14/20 0.70
AKR1C3 P42330 1/20 0.53
TSHR P16473 1/20 0.51
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
CYP17A1 P05093 2/20 0.44
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42

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
SCHEMBL11061416 1.00 TBXAS1 (0.70) TBXAS1AKR1C3TSHRHDAC1HDAC6
Hydrochloric Acid SCHEMBL11067852 0.98 TBXAS1 (0.72) TBXAS1AKR1C3TSHRHDAC1HDAC6
Hydrochloric Acid SCHEMBL11067847 0.98 TBXAS1 (0.72) TBXAS1AKR1C3TSHRHDAC1HDAC6
SCHEMBL7764222 0.90 TBXAS1 (0.68) TBXAS1AKR1C3
SCHEMBL7764218 0.90 TBXAS1 (0.68) TBXAS1AKR1C3
SCHEMBL8159975 0.85 TBXAS1 (0.71) TBXAS1AKR1C3
SCHEMBL8159971 0.85 TBXAS1 (0.71) TBXAS1AKR1C3
SCHEMBL7963228 0.84 AKR1C3 (0.67) TBXAS1AKR1C3CYP11B2
SCHEMBL7268646 0.84 AKR1C3 (0.67) TBXAS1AKR1C3CYP11B2
SCHEMBL27224536 0.84 AKR1C3 (0.67) TBXAS1AKR1C3CYP11B2

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-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 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