SCHEMBL9857616

SCHEMBL9857616

C=C(Cn1ccnc1)OC(=O)C(=C)C

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
CYP19A1 P11511 2/20 0.40
EGLN3 Q9H6Z9 1/20 0.40
TBXAS1 P24557 2/20 0.39
ESR1 P03372 1/20 0.39
KDM4E B2RXH2 1/20 0.39
AHR P35869 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALPI P09923 1/20 0.38
ALPG P10696 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PLAA Q9Y263 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HMOX2 P30519 1/20 0.38

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
SCHEMBL1071597 0.76 TBXAS1 (0.50) ALDH1A1EGLN3TBXAS1KDM4E
SCHEMBL10015764 0.74 TBXAS1 (0.51) EGLN3TBXAS1
SCHEMBL412255 0.74
SCHEMBL5542324 0.74
SCHEMBL10015771 0.73 TBXAS1 (0.54) TBXAS1KDM4E
Bromide SCHEMBL16102048 0.73 TBXAS1 (0.50) EGLN3TBXAS1
SCHEMBL27557158 0.72 ALDH1A1 (0.33) ALDH1A1CYP19A1TBXAS1AHR
SCHEMBL27241501 0.72 TBXAS1 (0.56) TBXAS1
SCHEMBL4288375 0.71 ALDH1A1 (0.62) ALDH1A1CYP19A1EGLN3ESR1HMOX2
SCHEMBL19199807 0.71 FDPS (0.40) ALDH1A1EGLN3TBXAS1

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-0407800-A2 Analysis method for determining substances from biological fluids MILES INC. (US) 1991-01-16 EP disclosed