SCHEMBL10580159

SCHEMBL10580159

O=C(O)CC/C=C\CC[C@@H]1[C@@H](N2CCCCC2)[C@@H](O)C[C@@H]1OCc1ccc(-c2ccc(O)cc2)cc1

nearest known ligand 0.90

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 19/20 0.90
MEN1 O00255 1/20 0.90
KMT2A Q03164 1/20 0.90
TBXAS1 P24557 2/20 0.52

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
SCHEMBL10489337 1.00 TBXA2R (0.90) TBXA2RMEN1KMT2ATBXAS1
Vapiprost SCHEMBL9344105 0.94 TBXA2R (1.00) TBXA2RMEN1KMT2ATBXAS1
Vapiprost SCHEMBL9342608 0.94 TBXA2R (1.00) TBXA2RMEN1KMT2ATBXAS1
Vapiprost SCHEMBL9342604 0.94 TBXA2R (1.00) TBXA2RMEN1KMT2ATBXAS1
Vapiprost SCHEMBL28550 0.94 TBXA2R (1.00) TBXA2RMEN1KMT2ATBXAS1
Vapiprost SCHEMBL28551 0.94 TBXA2R (1.00) TBXA2RMEN1KMT2ATBXAS1
Vapiprost SCHEMBL8895507 0.94 TBXA2R (1.00) TBXA2RMEN1KMT2ATBXAS1
Vapiprost SCHEMBL635146 0.94 TBXA2R (0.98) TBXA2RMEN1KMT2ATBXAS1
Vapiprost SCHEMBL635147 0.94 TBXA2R (0.98) TBXA2RMEN1KMT2ATBXAS1
Vapiprost SCHEMBL27984405 0.94 TBXA2R (0.98) TBXA2RMEN1KMT2ATBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0297855-A1 Aminocyclopentyl ethers and their preparation and pharmaceutical formulation GLAXO GROUP LIMITED (GB) 1989-01-04 EP disclosed