SCHEMBL11287686

SCHEMBL11287686

CCCC[C@@H](CCCn1ccnc1)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 19/20 0.66

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
SCHEMBL11287681 1.00 TBXAS1 (0.66) TBXAS1
Hydrochloric Acid SCHEMBL11283446 0.99 TBXAS1 (0.67) TBXAS1
Hydrochloric Acid SCHEMBL11283441 0.99 TBXAS1 (0.67) TBXAS1
2-Ethylhexanoic Acid SCHEMBL28899034 0.89 TBXAS1 (0.67) TBXAS1
2-Ethylhexanoic Acid SCHEMBL28899014 0.89 TBXAS1 (0.67) TBXAS1
SCHEMBL27968407 0.87 TBXAS1 (0.56) TBXAS1
SCHEMBL11278043 0.85 TBXAS1 (0.53) TBXAS1
SCHEMBL11278039 0.85 TBXAS1 (0.53) TBXAS1
SCHEMBL1828857 0.83 TBXAS1 (0.64) TBXAS1
Bicarbonate SCHEMBL28296554 0.82 TBXAS1 (0.70) 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