SCHEMBL7690245

SCHEMBL7690245

O=C(O)CCCCCC=C(c1ccccc1)c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 19/20 0.76
TBXA2R P21731 1/20 0.73
HDAC3 O15379 1/20 0.59
HDAC4 P56524 1/20 0.59
HDAC1 Q13547 1/20 0.59
HDAC7 Q8WUI4 1/20 0.59
HDAC2 Q92769 1/20 0.59
HDAC10 Q969S8 1/20 0.59
HDAC11 Q96DB2 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
HDAC9 Q9UKV0 1/20 0.59
HDAC5 Q9UQL6 1/20 0.59

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
SCHEMBL10471121 1.00 TBXAS1 (0.76) TBXAS1TBXA2RHDAC3HDAC4HDAC1
SCHEMBL10470554 0.98 TBXAS1 (0.75) TBXAS1TBXA2R
SCHEMBL3159035 0.93 TBXAS1 (0.74) TBXAS1TBXA2R
SCHEMBL10680940 0.87 TBXAS1 (1.00) TBXAS1TBXA2R
SCHEMBL10620921 0.87 TBXAS1 (1.00) TBXAS1TBXA2R
SCHEMBL10634966 0.87 TBXAS1 (1.00) TBXAS1TBXA2R
SCHEMBL10616364 0.87 TBXAS1 (1.00) TBXAS1TBXA2R
SCHEMBL10634973 0.87 TBXAS1 (1.00) TBXAS1TBXA2R
SCHEMBL10616376 0.87 TBXAS1 (1.00) TBXAS1TBXA2R
(E)-Isbogrel SCHEMBL4060 0.85 TBXAS1 (1.00) TBXAS1TBXA2R

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
EP-1017684-B1 CONTRASTING AGENT FOR INFARCT AND NECROSIS IMAGING SCHERING AG (DE) 2002-11-20 EP disclosed
EP-1017684-A1 CONTRASTING AGENT FOR INFARCT AND NECROSIS IMAGING SCHERING AKTIENGESELLSCHAFT (DE) 2000-07-12 EP disclosed
US-6083479-A Contrast media for infarction and necrosis imaging SCHERING AKTIENGESELLSCHAFT (DE) 2000-07-04 US disclosed
WO-1999016757-A1 CONTRASTING AGENT FOR INFARCT AND NECROSIS IMAGING SCHERING AKTIENGESELLSCHAFT (DE) 1999-04-08 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