SCHEMBL9519210

SCHEMBL9519210

COc1ccc(/C(=C/C=C/CC(=O)O)c2cccnc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.61
PTAFR P25105 14/20 0.53
KMT2A Q03164 2/20 0.51
TBXA2R P21731 1/20 0.49

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
SCHEMBL9520702 1.00 TBXAS1 (0.61) TBXAS1PTAFRKMT2ATBXA2R
SCHEMBL9523136 0.88 CES2 (0.53) TBXAS1PTAFRKMT2A
SCHEMBL9522407 0.88 CES2 (0.53) TBXAS1PTAFRKMT2A
SCHEMBL9521346 0.86 CA1 (0.49) PTAFR
Bicarbonate SCHEMBL9520704 0.84 TBXAS1 (0.58) TBXAS1PTAFRKMT2A
SCHEMBL10398993 0.84 PTAFR (0.60) TBXAS1PTAFRKMT2A
SCHEMBL10398976 0.84 PTAFR (0.60) TBXAS1PTAFRKMT2A
Bicarbonate SCHEMBL9519216 0.84 TBXAS1 (0.58) TBXAS1PTAFRKMT2A
SCHEMBL10398977 0.84 PTAFR (0.60) TBXAS1PTAFRKMT2A
SCHEMBL10398227 0.81 PTAFR (0.62) TBXAS1PTAFRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0299379-B1 PENTADIENAMIDE PAF-ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1993-04-21 EP disclosed
EP-0299379-A1 Pentadienamide PAF-antagonists F. HOFFMANN-LA ROCHE AG (CH) 1989-01-18 EP disclosed