SCHEMBL810205

SCHEMBL810205

C=Cc1ccc(OC(C)=O)cc1CCl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.44
PKM P14618 2/20 0.44
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
ACHE P22303 3/20 0.42
CA2 P00918 1/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 3/20 0.41
CYP3A4 P08684 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
TTR P02766 1/20 0.41
TP53 P04637 1/20 0.41
KMT2A Q03164 1/20 0.41
ALOX12 P18054 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
GLA P06280 2/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL809371 0.84 LMNA (0.40) LMNAPKMNPC1HTTRAB9A
SCHEMBL18318758 0.82 LMNA (0.47) LMNAPKMHTTACHECA2
SCHEMBL27951872 0.81 CYP3A4 (0.46) LMNAPKMNPC1HTTRAB9A
SCHEMBL809392 0.80 ALDH1A1 (0.47) LMNANPC1RAB9AKDM4ECYP3A4
SCHEMBL7930814 0.79 ACHE (0.50) LMNAPKMHTTACHECA2
SCHEMBL3627110 0.79 KDM4E (0.56) LMNAPKMNPC1HTTRAB9A
SCHEMBL30785274 0.79 KDM4E (0.56) LMNAPKMNPC1HTTRAB9A
SCHEMBL17748187 0.78 ACHE (0.45) LMNAPKMACHECA2KDM4E
SCHEMBL27939631 0.78 GLA (0.44) LMNAPKMACHECA2KDM4E
SCHEMBL28190164 0.77 CYP3A4 (0.41) LMNAACHECA2KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012015977-A3 HIGHLY PORTABLE AND STABLE WORK STATION HERSCHLER MATTHEW B (US) 2012-05-10 WO disclosed
EP-2192645-B1 SEPARATION MEMBRANE FOR DIRECT LIQUID FUEL CELL AND METHOD FOR PRODUCING THE SAME TOKUYAMA CORP (JP) 2011-11-30 EP disclosed
US-20110250525-A1 SEPARATION MEMBRANE FOR DIRECT LIQUID FUEL CELL AND METHOD FOR PRODUCING THE SAME TOKUYAMA CORPORATION (JP) 2011-10-13 US disclosed
EP-2192645-A1 SEPARATION MEMBRANE FOR DIRECT LIQUID FUEL CELL AND METHOD FOR PRODUCING THE SAME Tokuyama Corporation (JP) 2010-06-02 EP disclosed