SCHEMBL11278043

SCHEMBL11278043

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

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 17/20 0.53
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL11278039 1.00 TBXAS1 (0.53) TBXAS1ALDH1A1
SCHEMBL11287686 0.85 TBXAS1 (0.66) TBXAS1
SCHEMBL11287681 0.85 TBXAS1 (0.66) TBXAS1
SCHEMBL11303283 0.84 TBXAS1 (0.70) TBXAS1
Hydrochloric Acid SCHEMBL11283446 0.83 TBXAS1 (0.67) TBXAS1
Hydrochloric Acid SCHEMBL11283441 0.83 TBXAS1 (0.67) TBXAS1
SCHEMBL25125926 0.80 TBXAS1 (0.56) TBXAS1
SCHEMBL25067568 0.79 TBXAS1 (0.48) TBXAS1
SCHEMBL11274457 0.78 TBXAS1 (0.71) TBXAS1
SCHEMBL11274459 0.78 TBXAS1 (0.71) 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-4355170-A ANTIINFLAMMATORY, HYPERTENSIVE, ANTIASTHMATIC AGENTS, A THROMBOXANE SYNTHETASE INHIBITORS ONO PHARMACEUTICAL CO., LTD. (JP) 1982-10-19 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