SCHEMBL9601757

SCHEMBL9601757

Cc1cccc(/C(=N\OCCCCC(=O)O)c2cccnc2)c1

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 17/20 0.72
TBXA2R P21731 17/20 0.72
MEN1 O00255 1/20 0.61
ALDH1A1 P00352 1/20 0.61
MAPT P10636 1/20 0.61
KMT2A Q03164 1/20 0.61

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
SCHEMBL9601865 1.00 TBXAS1 (0.72) TBXAS1TBXA2RMEN1ALDH1A1MAPT
SCHEMBL9601444 0.90 TBXA2R (0.76) TBXAS1TBXA2R
SCHEMBL9601449 0.90 TBXA2R (0.76) TBXAS1TBXA2R
SCHEMBL9602647 0.87 TBXA2R (0.81) TBXAS1TBXA2R
SCHEMBL9602658 0.87 TBXA2R (0.81) TBXAS1TBXA2R
SCHEMBL9602592 0.84 TBXA2R (0.85) TBXAS1TBXA2R
SCHEMBL9602582 0.84 TBXA2R (0.85) TBXAS1TBXA2R
SCHEMBL9601229 0.84 TBXAS1 (0.69) TBXAS1TBXA2R
SCHEMBL9601222 0.84 TBXAS1 (0.69) TBXAS1TBXA2R
SCHEMBL13955407 0.84 TBXA2R (0.71) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0221601-B1 [[[(3-Pyridinyl)methylen]amino]oxy]alkanoic acids and esters JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-10 EP claimed
US-4963573-A INHIBIT BIOSYNTHESIS OF THROMBOXANE A2 JANSSEN PHARMACEUTICA N.V. (BE) 1990-10-16 US claimed
US-4746671-A THROMBOXANE SYNTHETASE INHIBITION JANSSEN PHARMACEUTICA N.V. (BE) 1988-05-24 US claimed
EP-0221601-A1 [[[(3-Pyridinyl)methylen]amino]oxy]alkanoic acids and esters JANSSEN PHARMACEUTICA N.V. (BE) 1987-05-13 EP claimed
EP-0221601-B1 [[[(3-Pyridinyl)methylen]amino]oxy]alkanoic acids and esters JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-10 EP disclosed
US-5180832-A Chemical intermediate for thromboxane A2 inhibitor JANSSEN PHARMACEUTICA N.V. (BE) 1993-01-19 US disclosed
US-4963573-A INHIBIT BIOSYNTHESIS OF THROMBOXANE A2 JANSSEN PHARMACEUTICA N.V. (BE) 1990-10-16 US disclosed
US-4746671-A THROMBOXANE SYNTHETASE INHIBITION JANSSEN PHARMACEUTICA N.V. (BE) 1988-05-24 US disclosed
EP-0221601-A1 [[[(3-Pyridinyl)methylen]amino]oxy]alkanoic acids and esters JANSSEN PHARMACEUTICA N.V. (BE) 1987-05-13 EP disclosed