SCHEMBL3409990

SCHEMBL3409990

CN(C)C(=O)C=Cc1ccc(Cl)cc1.O=CCc1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
HTT P42858 2/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP1A2 P05177 1/20 0.49
CHRM1 P11229 1/20 0.48
HTR2A P28223 1/20 0.48
MCHR1 Q99705 1/20 0.48
MAOA P21397 3/20 0.47
MAOB P27338 3/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.43
GAA P10253 1/20 0.42
BCHE P06276 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC6 Q9UBN7 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
SCHEMBL3413340 0.87 CYP1A2 (0.62) LMNAHTTNPC1ALDH1A1MAPT
SCHEMBL7720766 0.82 NPC1 (0.56) LMNAHTTNPC1ALDH1A1MAPT
SCHEMBL7720768 0.82 NPC1 (0.56) LMNAHTTNPC1ALDH1A1MAPT
SCHEMBL20300432 0.80 HDAC3 (0.47) LMNAHTTNPC1ALDH1A1MAPT
SCHEMBL11217696 0.79 HSD17B3 (0.55) LMNAHTTNPC1ALDH1A1MAPT
SCHEMBL20300318 0.76 HDAC3 (0.47) LMNANPC1RAB9ACHRM1HTR2A
SCHEMBL28375640 0.76 TRPM8 (0.49) LMNAHTTNPC1ALDH1A1MAPT
SCHEMBL5677328 0.74 RAB9A (0.58) LMNAHTTNPC1ALDH1A1MAPT
SCHEMBL5677325 0.74 RAB9A (0.58) LMNAHTTNPC1ALDH1A1MAPT
SCHEMBL453913 0.73 IDO1 (0.48) LMNAHTTNPC1ALDH1A1RAB9A

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-2257541-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-12-08 EP disclosed
WO-2009103652-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 WO disclosed