SCHEMBL11266178

SCHEMBL11266178

CC(C)(CCC(=O)O)n1ccnc1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 16/20 0.77
EGLN3 Q9H6Z9 1/20 0.47
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.41

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
Hydrochloric Acid SCHEMBL11278073 0.98 TBXAS1 (0.78) TBXAS1EGLN3ALDH1A1TDP1
SCHEMBL11276271 0.87 TBXAS1 (1.00) TBXAS1EGLN3TDP1
Hydrochloric Acid SCHEMBL11275131 0.86 TBXAS1 (1.00) TBXAS1EGLN3TDP1
SCHEMBL11273054 0.80 TBXAS1 (0.56) TBXAS1ALDH1A1
Bicarbonate SCHEMBL29201379 0.79 TBXAS1 (0.58) TBXAS1EGLN3ALDH1A1
SCHEMBL4123092 0.78 TBXAS1 (0.57) TBXAS1
Acetic Acid SCHEMBL28843275 0.76 TBXAS1 (0.55) TBXAS1EGLN3ALDH1A1
SCHEMBL4342783 0.76 TBXAS1 (0.54) TBXAS1
SCHEMBL46043 0.75 TBXAS1 (0.54) TBXAS1EGLN3ALDH1A1
SCHEMBL14415940 0.74 TBXAS1 (0.53) 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