SCHEMBL9000108

SCHEMBL9000108

O=C1OC(O)Cc2c(Cl)cccc21

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPRF P10586 1/20 0.46
AADAT Q8N5Z0 1/20 0.41
MAPK14 Q16539 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
NOTUM Q6P988 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
KIF11 P52732 2/20 0.35
LDHA P00338 1/20 0.35
MAPT P10636 1/20 0.34
TRPM5 Q9NZQ8 1/20 0.34
NSD2 O96028 1/20 0.33

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
SCHEMBL13808564 0.80 PTPRF (0.47) PTPRFSMN1; SMN2MAOAMAOBMAPT
SCHEMBL28847777 0.73 LDHA (0.53) MAOBLDHAMAPT
SCHEMBL1072092 0.72 SMN1; SMN2 (0.61) PTPRFSMN1; SMN2MAOAMAOBMAPT
SCHEMBL28968289 0.71 AADAT (0.36) PTPRFAADATSMN1; SMN2CA1CA2
SCHEMBL28968292 0.71 AADAT (0.36) PTPRFAADATSMN1; SMN2CA1CA2
SCHEMBL3890561 0.70 SMARCA2 (0.36) MAPK14NOTUMLDHANSD2
SCHEMBL87504 0.69 MAOB (0.47) MAOAMAOBMAPTNSD2
SCHEMBL29504833 0.69 MAOB (0.47) MAOAMAOBMAPTNSD2
SCHEMBL8558933 0.69 ACHE (0.40) AADATMAPK14NOTUMMAPTNSD2
SCHEMBL20539615 0.69 ACHE (0.40) AADATMAPK14NOTUMMAPTNSD2

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-0730468-A1 MEDICINAL ACTIVITY OF ASPARTAME Messadek, Jallal (BE) 1996-09-11 EP disclosed
WO-1995014486-A1 MEDICINAL ACTIVITY OF ASPARTAME MESSADEK, JALLAL (BE) 1995-06-01 WO disclosed