SCHEMBL2377776

SCHEMBL2377776

O=C(O)CCC=C(c1ccccc1)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 16/20 0.73
TBXA2R P21731 1/20 0.58
NR4A2 P43354 1/20 0.52
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50

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
SCHEMBL3159035 0.88 TBXAS1 (0.74) TBXAS1TBXA2R
SCHEMBL10470554 0.86 TBXAS1 (0.75) TBXAS1TBXA2R
SCHEMBL7690245 0.85 TBXAS1 (0.76) TBXAS1TBXA2R
SCHEMBL10471121 0.85 TBXAS1 (0.76) TBXAS1TBXA2R
SCHEMBL20534073 0.84 TBXAS1 (0.55) TBXAS1TBXA2R
SCHEMBL10470024 0.82 TBXAS1 (0.58) TBXAS1TBXA2R
SCHEMBL9092744 0.82 SIGMAR1 (0.53) TBXAS1TBXA2RMTNR1AMTNR1B
SCHEMBL5965847 0.81 TBXAS1 (0.53) TBXAS1TBXA2RMTNR1AMTNR1B
SCHEMBL7502446 0.81 TBXAS1 (0.53) TBXAS1TBXA2R
SCHEMBL1231801 0.80 MTNR1A (0.55) TBXAS1TBXA2RNR4A2MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8026280-B2 For therapy of cancer, hematological disorders, e.g., hemoglobinopathies, and genetic related metabolic disorders, e.g., cystic fibrosis and adrenoleukodystrophy. ERRANT GENE THERAPEUTICS, LLC (US) 2011-09-27 US claimed
EP-1590326-A4 SUBSTITUTED ALKYL AMIDO PIPERIDINES LUNDBECK & CO AS H (DK) 2008-04-30 EP disclosed
EP-1590326-A2 SUBSTITUTED ALKYL AMIDO PIPERIDINES H. Lundbeck A/S (DK) 2005-11-02 EP disclosed
WO-2004064764-A2 SUBSTITUTED ALKYL AMIDO PIPERIDINES H. LUNDBECK A/S (DK) 2004-08-05 WO disclosed
US-4927838-A CARDIOVASCULAR DISORDERS HOFFMAN-LA ROCHE INC. (US) 1990-05-22 US disclosed
EP-0298466-A2 Substituted alkene carboxylic acid amides and derivatives F. HOFFMANN-LA ROCHE AG (CH) 1989-01-11 EP disclosed