SCHEMBL8659243

SCHEMBL8659243

C/C=C(/C(=O)O)c1cccc2ccc(Oc3nc(OC)cc(OC)n3)cc12

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 3/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 3/20 0.44
CYP3A4 P08684 2/20 0.44
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 1/20 0.43
AKR1C2 P52895 1/20 0.42

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
SCHEMBL8601815 0.91 MTNR1A (0.44) MTNR1AL3MBTL1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL8601819 0.91 MTNR1A (0.44) MTNR1AL3MBTL1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL8623895 0.91 MTNR1A (0.44) MTNR1AL3MBTL1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL8601175 0.81 MTNR1A (0.50) MTNR1AL3MBTL1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL8596749 0.73 ALOX5 (0.51)
SCHEMBL8598937 0.72 PTPN1 (0.49) MTNR1ACYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL8533287 0.71 MEN1 (0.43) MTNR1AL3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL2901873 0.70 AKR1C3 (0.57) L3MBTL1SMN1; SMN2
SCHEMBL11127306 0.70 CYP1A2 (0.60) L3MBTL1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL30507856 0.70 CYP1A2 (0.60) L3MBTL1SMN1; SMN2CYP1A2CYP2C9CYP2C19

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-0819111-A1 FUNGICIDAL COMPOUNDS AgrEvo UK Limited (GB) 1998-01-21 EP disclosed
WO-1996029301-A1 FUNGICIDAL COMPOUNDS AGREVO UK LIMITED (GB) 1996-09-26 WO disclosed