SCHEMBL7044974

SCHEMBL7044974

O=[C]c1ccccc1OCC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
USP2 O75604 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
THRB P10828 1/20 0.44
G6PD P11413 1/20 0.44
ALOX15 P16050 1/20 0.44
CASP1 P29466 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
S1PR2 O95136 1/20 0.39
S1PR4 O95977 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 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
SCHEMBL16757673 0.83 NPSR1 (0.39) MEN1MAPTKMT2AKDM4EALDH1A1
SCHEMBL6538771 0.81 SMN1; SMN2 (0.38) KDM4EALDH1A1NPSR1GAASMN1; SMN2
SCHEMBL4911171 0.81 HTR1A (0.46) MEN1MAPTKMT2AKDM4EALDH1A1
SCHEMBL29530991 0.81 HTR1A (0.46) MEN1MAPTKMT2AKDM4EALDH1A1
SCHEMBL28288419 0.80 MAPT (0.52) MEN1MAPTKMT2AKDM4EALDH1A1
SCHEMBL10911290 0.79 DRD1 (0.42) MAPTKDM4EALDH1A1L3MBTL1NPSR1
SCHEMBL947129 0.76 PTGDR2 (0.38) KDM4EALDH1A1HTTNPSR1GAA
SCHEMBL10458170 0.76 KDM4E (0.41) MAPTKDM4EALDH1A1L3MBTL1HTT
SCHEMBL513917 0.75 SLC6A2 (0.42) MEN1MAPTKMT2AKDM4EALDH1A1
SCHEMBL96814 0.75 FFAR1 (0.46) KDM4EALDH1A1L3MBTL1NPSR1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003018019-A2 NEW USE OF CYCLIC COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-06 WO disclosed