SCHEMBL11277829

SCHEMBL11277829

COC(=O)CCC(C)(C)CCCCn1ccnc1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 16/20 0.74
L3MBTL1 Q9Y468 1/20 0.45
EGLN3 Q9H6Z9 1/20 0.44
QPCT Q16769 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
SCHEMBL11279070 0.85 TBXAS1 (1.00) TBXAS1EGLN3
SCHEMBL15883192 0.84 TBXAS1 (0.64) TBXAS1EGLN3QPCT
Hydrochloric Acid SCHEMBL11279578 0.84 TBXAS1 (1.00) TBXAS1EGLN3
SCHEMBL11223282 0.83 TBXAS1 (0.67) TBXAS1EGLN3
SCHEMBL7444582 0.83 TBXAS1 (0.67) TBXAS1EGLN3
SCHEMBL11221333 0.83 TBXAS1 (0.67) TBXAS1EGLN3
SCHEMBL26528214 0.83 TBXAS1 (0.57) TBXAS1L3MBTL1EGLN3
SCHEMBL45903 0.80 EGLN3 (0.62) TBXAS1L3MBTL1EGLN3
SCHEMBL11270122 0.74 TBXAS1 (0.73) TBXAS1L3MBTL1
SCHEMBL11270117 0.74 TBXAS1 (0.73) TBXAS1L3MBTL1

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