SCHEMBL4651600

SCHEMBL4651600

C=C(C)C(=O)OCCCCCCCCOc1ccc(/C=C(\C#N)c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.59
POLB P06746 1/20 0.59
APEX1 P27695 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
KDM4E B2RXH2 4/20 0.57
ALDH1A1 P00352 3/20 0.57
HPGD P15428 1/20 0.57
MAPT P10636 4/20 0.44
RAB9A P51151 3/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PTPN7 P35236 1/20 0.44
PTPN12 Q05209 1/20 0.44
PTPN22 Q9Y2R2 1/20 0.44
PLA2G4A P47712 1/20 0.42
LMNA P02545 1/20 0.41
HSP90AA1 P07900 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 2/20 0.40

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
SCHEMBL4652663 1.00 HTT (0.59) HTTPOLBAPEX1TDP1KDM4E
SCHEMBL4651512 1.00 HTT (0.59) HTTPOLBAPEX1TDP1KDM4E
SCHEMBL4652666 1.00 HTT (0.59) HTTPOLBAPEX1TDP1KDM4E
SCHEMBL4653712 1.00 HTT (0.59) HTTPOLBAPEX1TDP1KDM4E
SCHEMBL4653715 1.00 HTT (0.59) HTTPOLBAPEX1TDP1KDM4E
SCHEMBL17625202 0.96 HTT (0.62) HTTPOLBAPEX1TDP1KDM4E
SCHEMBL4651469 0.91 HTT (0.58) HTTPOLBAPEX1TDP1KDM4E
SCHEMBL29198064 0.91 HTT (0.58) HTTPOLBAPEX1TDP1KDM4E
SCHEMBL29198061 0.91 HTT (0.58) HTTPOLBAPEX1TDP1KDM4E
SCHEMBL29198062 0.91 HTT (0.58) HTTPOLBAPEX1TDP1KDM4E

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
EP-1975687-A1 Method of uniform and defect free liquid crystal aligning layers Rolic AG (CH) 2008-10-01 EP disclosed