SCHEMBL1014683

SCHEMBL1014683

CCOc1ccc(OCC2CCC(C=O)CC2)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
RIPK1 Q13546 1/20 0.37
BRD4 O60885 2/20 0.37
PDE4B Q07343 6/20 0.36
PDE4A P27815 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
KDM1A O60341 2/20 0.35
PTGIR P43119 1/20 0.35
SLC6A9 P48067 1/20 0.35
HPGD P15428 2/20 0.34
ACACB O00763 1/20 0.33

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
SCHEMBL1853160 0.87 HTR2C (0.36) HTR2AHTR2CHTR2BRIPK1BRD4
SCHEMBL26036401 0.87 HTR2C (0.36) HTR2AHTR2CHTR2BRIPK1BRD4
SCHEMBL1853162 0.87 HTR2C (0.36) HTR2AHTR2CHTR2BRIPK1BRD4
SCHEMBL1014494 0.87 HTR2A (0.36) HTR2AHTR2CHTR2BRIPK1BRD4
SCHEMBL17407822 0.85 HTR2A (0.36) HTR2AHTR2CHTR2BRIPK1BRD4
SCHEMBL22820268 0.85 HTR2A (0.36) HTR2AHTR2CHTR2BRIPK1BRD4
SCHEMBL28595566 0.85 HTR2A (0.36) HTR2AHTR2CHTR2BRIPK1BRD4
SCHEMBL28585122 0.85 HTR2A (0.36) HTR2AHTR2CHTR2BRIPK1BRD4
SCHEMBL17016835 0.84 HTR2A (0.35) HTR2AHTR2CHTR2BRIPK1BRD4
SCHEMBL15445798 0.84 RIPK1 (0.41) HTR2AHTR2CHTR2BRIPK1BRD4

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-2272837-B1 LIQUID CRYSTALLINE COMPOUND WITH NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORP (JP) 2014-12-17 EP disclosed
EP-2272837-A1 LIQUID CRYSTALLINE COMPOUND WITH NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE Chisso Corporation (JP) 2011-01-12 EP disclosed