SCHEMBL8775969

SCHEMBL8775969

CC(O)C=CCCCC(c1ccccc1)c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.45
EPHX2 P34913 4/20 0.44
CFTR P13569 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
GOPC Q9HD26 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KCNA5 P22460 2/20 0.40
GAA P10253 1/20 0.40
PDE4D Q08499 1/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KCNH2 Q12809 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
SCHEMBL8775966 1.00 TBXAS1 (0.53) TBXAS1SMN1; SMN2EPHX2CFTRSLC6A2
SCHEMBL8776041 0.82 TBXAS1 (0.57) TBXAS1SMN1; SMN2EPHX2CFTRSLC6A2
SCHEMBL8776035 0.82 TBXAS1 (0.57) TBXAS1SMN1; SMN2EPHX2CFTRSLC6A2
SCHEMBL8775904 0.81 TBXAS1 (0.50) TBXAS1SMN1; SMN2EPHX2CYP2C9CYP2C19
SCHEMBL8775900 0.81 TBXAS1 (0.50) TBXAS1SMN1; SMN2EPHX2CYP2C9CYP2C19
SCHEMBL10735288 0.80 TBXAS1 (0.61) TBXAS1SMN1; SMN2EPHX2CFTRSLC6A2
SCHEMBL10735286 0.80 TBXAS1 (0.61) TBXAS1SMN1; SMN2EPHX2CFTRSLC6A2
SCHEMBL8775794 0.78 TBXAS1 (0.56) TBXAS1SMN1; SMN2EPHX2CFTRSLC6A2
SCHEMBL8775802 0.78 TBXAS1 (0.56) TBXAS1SMN1; SMN2EPHX2CFTRSLC6A2
SCHEMBL8775841 0.77 TBXAS1 (0.56) TBXAS1SMN1; SMN2EPHX2CFTRSLC6A2

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