SCHEMBL7186435

SCHEMBL7186435

C#CCOc1ccc2c(=O)c(C)c(-c3ccccc3)oc2c1C(=O)C=Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 3/20 0.41
MAOB P27338 2/20 0.40
MAOA P21397 1/20 0.40
LMNA P02545 5/20 0.37
MAPT P10636 3/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NPC1 O15118 1/20 0.37
JAK2 O60674 1/20 0.37
RAB9A P51151 1/20 0.37
PAX8 Q06710 1/20 0.37
ALDH1A1 P00352 4/20 0.37
CYP3A4 P08684 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
CHRM2 P08172 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
ADORA3 P0DMS8 1/20 0.37

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
SCHEMBL7192689 0.90 KRAS (0.42) LMNAMAPTGAASMN1; SMN2RAB9A
SCHEMBL7073603 0.86 KDM4E (0.43) MAOBMAOALMNAMAPTGAA
SCHEMBL7070595 0.86 MAOB (0.40) PADI4MAOBMAOALMNAMAPT
SCHEMBL7072943 0.85 ALDH1A1 (0.41) MAOBMAOALMNAMAPTGAA
SCHEMBL7073297 0.85 MAOB (0.43) MAOBMAOALMNAMAPTGAA
SCHEMBL6905188 0.82 MAPT (0.54) MAOALMNAMAPTGAASMN1; SMN2
SCHEMBL7075613 0.80 MAOB (0.42) MAOBMAOALMNAMAPTSMN1; SMN2
SCHEMBL7072249 0.79 PADI4 (0.46) PADI4LMNAMAPTGAASMN1; SMN2
SCHEMBL7070733 0.78 NQO1 (0.45) MAOBMAOALMNAMAPTGAA
SCHEMBL7073634 0.78 NQO1 (0.45) MAOBMAOALMNAMAPTGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1212315-B1 NOVEL CHALCONES INDENA SPA (IT) 2003-03-26 EP disclosed
EP-1212315-A1 NOVEL CHALCONES INDENA S.p.A. (IT) 2002-06-12 EP disclosed
WO-2001017988-A1 NOVEL CHALCONES INDENA S.P.A. (IT) 2001-03-15 WO disclosed