SCHEMBL8775807

SCHEMBL8775807

CC(=O)CCCCCC(c1ccccc1)c1cccnc1

nearest known ligand 0.82

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 13/20 0.82
EPHX2 P34913 4/20 0.53
TBXA2R P21731 2/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
PDE4D Q08499 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL8775856 1.00 TBXAS1 (0.82) TBXAS1EPHX2TBXA2RCYP2C9CYP2C19
SCHEMBL8775812 0.90 TBXAS1 (0.65) TBXAS1EPHX2CYP2C9CYP2C19PDE4D
SCHEMBL8775878 0.82 TBXAS1 (0.71) TBXAS1EPHX2TBXA2RCYP2C9CYP2C19
SCHEMBL8775940 0.82 TBXAS1 (0.71) TBXAS1EPHX2TBXA2RCYP2C9CYP2C19
SCHEMBL8775786 0.82 TBXAS1 (0.71) TBXAS1EPHX2TBXA2RCYP2C9CYP2C19
SCHEMBL8775886 0.80 TBXAS1 (0.68) TBXAS1EPHX2TBXA2RCYP2C9CYP2C19
SCHEMBL14288463 0.80 TBXAS1 (0.64) TBXAS1EPHX2CYP2C9CYP2C19PDE4D
SCHEMBL9549607 0.79 TBXAS1 (0.74) TBXAS1TBXA2R
SCHEMBL9910965 0.79 TBXAS1 (0.61) TBXAS1EPHX2CYP2C9CYP2C19PDE4D
SCHEMBL8775954 0.78 TBXAS1 (0.66) TBXAS1EPHX2TBXA2RCYP2C9CYP2C19

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-0807626-A1 N-HYDROXYUREA DERIVATIVES Nikken Chemicals Company, Limited (JP) 1997-11-19 EP disclosed