SCHEMBL8319830

SCHEMBL8319830

O=C(COc1ccc(C(=O)CN2C(=O)CN(C3CCNCC3)CC2=O)cc1Cn1ccnc1)OC(=O)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.35
CYP19A1 P11511 2/20 0.32
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
ALPG P10696 2/20 0.32
ALPI P09923 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PLAA Q9Y263 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
BRD4 O60885 2/20 0.31

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
SCHEMBL8317329 0.91 TBXAS1 (0.34) TBXAS1CYP19A1CYP11B1CYP11B2ALPG
Trifluoroacetic Acid SCHEMBL8319827 0.90 TBXAS1 (0.43) TBXAS1CYP19A1CYP11B1CYP11B2ALPG
SCHEMBL8317871 0.88 TBXAS1 (0.47) TBXAS1CYP19A1CYP11B1CYP11B2ALPG
Trifluoroacetic Acid SCHEMBL8317327 0.81 TBXAS1 (0.42) TBXAS1CYP19A1CYP11B1CYP11B2ALPG
SCHEMBL8316420 0.79 TBXAS1 (0.45) TBXAS1CYP19A1CYP11B1CYP11B2ALPG
SCHEMBL8318274 0.78 TBXAS1 (0.42) TBXAS1BRD4
Trifluoroacetic Acid SCHEMBL8319835 0.73 ITGB3 (0.37)
SCHEMBL8317905 0.71 ITGB3 (0.38)
SCHEMBL8318813 0.71 ITGB3 (0.56) TBXAS1
SCHEMBL8319261 0.69 TBXAS1 (0.41) TBXAS1BRD4

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-0897920-A1 NOVEL HETEROCYCLIC COMPOUNDS HAVING PLATELET AGGREGATION INHIBITORY EFFECTS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1999-02-24 EP disclosed