SCHEMBL9601397

SCHEMBL9601397

CCOC(=O)CCCCON=C(c1cccnc1)c1ccco1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 17/20 0.74
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
TBXA2R P21731 3/20 0.46
LMNA P02545 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
SCHEMBL9601393 1.00 TBXAS1 (0.74) TBXAS1KMT2AMEN1POLBTBXA2R
SCHEMBL10659433 0.88 TBXAS1 (0.93) TBXAS1TBXA2RLMNA
SCHEMBL9602625 0.86 TBXA2R (0.60) TBXAS1KMT2AMEN1POLBTBXA2R
SCHEMBL9602619 0.86 TBXA2R (0.60) TBXAS1KMT2AMEN1POLBTBXA2R
SCHEMBL9601366 0.84 TBXAS1 (0.85) TBXAS1TBXA2R
SCHEMBL9601354 0.84 TBXAS1 (0.85) TBXAS1TBXA2R
SCHEMBL9529711 0.78 KMT2A (0.50) TBXAS1KMT2AMEN1POLBTBXA2R
SCHEMBL9601423 0.78 TBXAS1 (0.74) TBXAS1TBXA2R
SCHEMBL9601416 0.78 TBXAS1 (0.74) TBXAS1TBXA2R
SCHEMBL9602465 0.76 TBXAS1 (0.69) TBXAS1TBXA2RLMNA

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