SCHEMBL9602469

SCHEMBL9602469

CCOC(=O)CCCCON=C(c1cccnc1)C(C)(C)c1cccnc1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 15/20 0.69
TBXA2R P21731 1/20 0.48
LMNA P02545 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL9602465 1.00 TBXAS1 (0.69) TBXAS1TBXA2RLMNATDP1CYP1A2
Oxalic Acid SCHEMBL9600622 0.85 TBXAS1 (0.60) TBXAS1TBXA2RLMNATDP1CYP1A2
Oxalic Acid SCHEMBL9600632 0.85 TBXAS1 (0.60) TBXAS1TBXA2RLMNATDP1CYP1A2
Oxalic Acid SCHEMBL9600638 0.85 TBXAS1 (0.60) TBXAS1TBXA2RLMNATDP1CYP1A2
SCHEMBL10659433 0.84 TBXAS1 (0.93) TBXAS1TBXA2RLMNA
SCHEMBL9601366 0.81 TBXAS1 (0.85) TBXAS1TBXA2R
SCHEMBL9601354 0.81 TBXAS1 (0.85) TBXAS1TBXA2R
SCHEMBL9601397 0.76 TBXAS1 (0.74) TBXAS1TBXA2RLMNA
SCHEMBL9601393 0.76 TBXAS1 (0.74) TBXAS1TBXA2RLMNA
SCHEMBL9601416 0.75 TBXAS1 (0.74) TBXAS1TBXA2RCYP1A2

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 5 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 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