SCHEMBL11287668

SCHEMBL11287668

COC(=O)CCCCC#CCn1ccnc1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 7/20 0.71
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47

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
SCHEMBL11358034 0.96 TBXAS1 (0.64) TBXAS1KDM4EALDH1A1
SCHEMBL11282493 0.83 TBXAS1 (1.00) TBXAS1ALDH1A1
Hydrochloric Acid SCHEMBL11284471 0.82 TBXAS1 (1.00) TBXAS1ALDH1A1
SCHEMBL15883192 0.80 TBXAS1 (0.64) TBXAS1
SCHEMBL11223282 0.79 TBXAS1 (0.67) TBXAS1
SCHEMBL7444582 0.79 TBXAS1 (0.67) TBXAS1
SCHEMBL11221333 0.79 TBXAS1 (0.67) TBXAS1
SCHEMBL26528214 0.78 TBXAS1 (0.57) TBXAS1ALDH1A1
SCHEMBL11165593 0.78 TBXAS1 (0.75) TBXAS1KDM4EALDH1A1
SCHEMBL45903 0.75 EGLN3 (0.62) TBXAS1ALDH1A1

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-4256757-A ANTIINFLAMMATORY AND HYPOTENSIVE AGENTS; THROMBOSIS; ASTHMA; NERVOUS SYSTEM DISORDERS ONO PHARMACEUTICAL CO., LTD. 1981-03-17 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