SCHEMBL11270122

SCHEMBL11270122

COC(=O)C=CC(C)(C)CCCCn1ccnc1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 16/20 0.73
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL11270117 1.00 TBXAS1 (0.73) TBXAS1L3MBTL1ALDH1A1
SCHEMBL11271836 0.78 TBXAS1 (0.71) TBXAS1
SCHEMBL11271842 0.78 TBXAS1 (0.71) TBXAS1
SCHEMBL11278011 0.77 TBXAS1 (0.64) TBXAS1
SCHEMBL26033595 0.76 TBXAS1 (0.48) TBXAS1ALDH1A1
SCHEMBL11277829 0.74 TBXAS1 (0.74) TBXAS1L3MBTL1
SCHEMBL16090981 0.73 TBXAS1 (0.47) TBXAS1
SCHEMBL11275411 0.73 TBXAS1 (0.67) TBXAS1
SCHEMBL11268220 0.72 TBXAS1 (0.69) TBXAS1
SCHEMBL11275678 0.72 TBXAS1 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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