SCHEMBL11216573

SCHEMBL11216573

O=C(O)C(=O)CCC/C=C\CC1=CC(O)CC1=O

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.35
ALOX5 P09917 2/20 0.32
PTGER2 P43116 1/20 0.31
TBXA2R P21731 3/20 0.31

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
SCHEMBL1083217 0.89 TOP1 (0.47) TOP1PTGER2TBXA2R
SCHEMBL1083220 0.89 TOP1 (0.47) TOP1PTGER2TBXA2R
SCHEMBL17421815 0.89 TOP1 (0.47) TOP1PTGER2TBXA2R
SCHEMBL11451513 0.89 TOP1 (0.47) TOP1PTGER2TBXA2R
SCHEMBL11234405 0.89 TOP1 (0.47) TOP1PTGER2TBXA2R
SCHEMBL11573698 0.89 TOP1 (0.47) TOP1PTGER2TBXA2R
SCHEMBL11182020 0.85 TOP1 (0.33) TOP1
SCHEMBL10686186 0.84 ALDH1A1 (0.43) TOP1TBXA2R
SCHEMBL11883787 0.82 PTGER2 (0.37) ALOX5PTGER2TBXA2R
SCHEMBL9460671 0.82 PTGER2 (0.37) ALOX5PTGER2TBXA2R

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4338252-A BRONCHODILATORS, HYPOTENSIVE, ANTIULCER AMERICAN CYANAMID COMPANY (US) 1982-07-06 US disclosed
US-4283550-A BRONCHODILATOR AGENTS, HYPOTENSIVE AGENTS, ANTIULCER AGENTS AMERICAN CYANAMID (US) 1981-08-11 US disclosed
US-4267361-A HYPOTENSIVE, ANTIULCER, AND BRONCHODILATOR AGENTS AMERICAN CYANAMID COMPANY (US) 1981-05-12 US disclosed
US-4260805-A BRONCHODILATOR AGENTS, HYPOTENSIVE AGENTS, ANTIULCER AGENTS AMERICAN CYANAMID COMPANY (US) 1981-04-07 US disclosed
US-4254275-A BRONCHODILATORS, ANTIULCER, HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1981-03-03 US disclosed
US-4254278-A BRONCHODILATORS, ANTIULCER, HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1981-03-03 US disclosed
US-4250321-A BRONCHODILATORS, HYPOTENSIVE AGENTS, ANTIULCER AGENTS AMERICAN CYANAMID COMPANY (US) 1981-02-10 US disclosed
US-4250323-A BRONCHODILATORS, HYPOTENSIVE AGENTS, ANTIULCER AGENTS AMERICAN CYANAMID COMPANY (US) 1981-02-10 US disclosed