SCHEMBL8106685

SCHEMBL8106685

CC(C)c1ccc(/C(=C/CCC(=O)O)c2cccnc2)cc1

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 19/20 0.85
TBXA2R P21731 1/20 0.64

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
SCHEMBL8106687 1.00 TBXAS1 (0.85) TBXAS1TBXA2R
SCHEMBL8112113 0.88 TBXAS1 (0.71) TBXAS1TBXA2R
SCHEMBL8112119 0.88 TBXAS1 (0.71) TBXAS1TBXA2R
SCHEMBL10618817 0.84 TBXAS1 (0.84) TBXAS1TBXA2R
Isbogrel SCHEMBL7766547 0.78 TBXAS1 (1.00) TBXAS1TBXA2R
(E)-Isbogrel SCHEMBL4060 0.78 TBXAS1 (1.00) TBXAS1TBXA2R
(E)-Isbogrel SCHEMBL4061 0.78 TBXAS1 (1.00) TBXAS1TBXA2R
SCHEMBL8056018 0.78 TBXAS1 (0.88) TBXAS1TBXA2R
SCHEMBL8056022 0.78 TBXAS1 (0.88) TBXAS1TBXA2R
SCHEMBL8884783 0.78 TBXAS1 (0.68) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6103743-A Unsaturated amino acid derivatives ALLELIX NEUROSCIENCE, INC. (US) 2000-08-15 US disclosed