SCHEMBL11271836

SCHEMBL11271836

COC(=O)/C=C\CCCCCn1ccnc1

nearest known ligand 0.71

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 19/20 0.71

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
SCHEMBL11271842 1.00 TBXAS1 (0.71) TBXAS1
SCHEMBL11280406 0.87 TBXAS1 (0.67) TBXAS1
SCHEMBL11280376 0.87 TBXAS1 (0.67) TBXAS1
SCHEMBL11267003 0.83 TBXAS1 (1.00) TBXAS1
SCHEMBL11285268 0.83 TBXAS1 (1.00) TBXAS1
SCHEMBL11267000 0.83 TBXAS1 (1.00) TBXAS1
Hydrochloric Acid SCHEMBL11275508 0.82 TBXAS1 (1.00) TBXAS1
Hydrochloric Acid SCHEMBL11283917 0.82 TBXAS1 (1.00) TBXAS1
Hydrochloric Acid SCHEMBL11275513 0.82 TBXAS1 (1.00) TBXAS1
SCHEMBL30154067 0.80 TBXAS1 (0.54) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4256757-A ANTIINFLAMMATORY AND HYPOTENSIVE AGENTS; THROMBOSIS; ASTHMA; NERVOUS SYSTEM DISORDERS ONO PHARMACEUTICAL CO., LTD. 1981-03-17 US claimed
US-4355170-A ANTIINFLAMMATORY, HYPERTENSIVE, ANTIASTHMATIC AGENTS, A THROMBOXANE SYNTHETASE INHIBITORS ONO PHARMACEUTICAL CO., LTD. (JP) 1982-10-19 US disclosed
US-4256757-A ANTIINFLAMMATORY AND HYPOTENSIVE AGENTS; THROMBOSIS; ASTHMA; NERVOUS SYSTEM DISORDERS ONO PHARMACEUTICAL CO., LTD. 1981-03-17 US disclosed