SCHEMBL4608140

SCHEMBL4608140

CCOc1cc(OCC)c(C=CC(=O)c2ccccc2)c(OCC)c1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.64
NPC1 O15118 4/20 0.64
RAB9A P51151 4/20 0.64
KMT2A Q03164 1/20 0.64
MAOB P27338 4/20 0.60
MAOA P21397 1/20 0.60
ABCG2 Q9UNQ0 3/20 0.54
PKM P14618 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
LMNA P02545 3/20 0.52
ATM Q13315 1/20 0.52
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 2/20 0.50

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
SCHEMBL4608138 1.00 MAPT (0.64) MAPTNPC1RAB9AKMT2AMAOB
SCHEMBL4448153 0.82 SLC5A1 (0.48) MAPTNPC1RAB9AKMT2AMAOB
SCHEMBL4448152 0.82 SLC5A1 (0.48) MAPTNPC1RAB9AKMT2AMAOB
SCHEMBL11727556 0.81 LMNA (0.57) MAPTNPC1RAB9AKMT2AMAOB
SCHEMBL11727563 0.81 LMNA (0.57) MAPTNPC1RAB9AKMT2AMAOB
SCHEMBL4453938 0.80 AURKA (0.65) MAPTNPC1RAB9AMAOBMAOA
SCHEMBL4453943 0.80 AURKA (0.65) MAPTNPC1RAB9AMAOBMAOA
SCHEMBL8146385 0.80 MAPT (0.62) MAPTNPC1RAB9AKMT2AMAOB
SCHEMBL1938583 0.79 ABCG2 (0.59) MAPTNPC1RAB9AMAOAABCG2
SCHEMBL1938581 0.79 ABCG2 (0.59) MAPTNPC1RAB9AMAOAABCG2

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-1976818-A2 CHALCONE DERIVATIVES WITH ANTIMITOTIC ACTIVITY UNIVERSITE CLAUDE BERNARD - LYON 1 (FR) 2008-10-08 EP claimed
WO-2007083060-A2 NOVEL CHALCONE DERIVATIVES WITH ANTIMITOTIC ACTIVITY UNIVERSITE CLAUDE BERNARD LYON I (FR) 2007-07-26 WO claimed