SCHEMBL19624533

SCHEMBL19624533

C=C(C)C(=O)OCCc1cc(-c2ccc3cc(-c4ccc(CCCCC)cc4)ccc3c2)ccc1OCCOCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.42
RARB P10826 7/20 0.39
RARA P10276 2/20 0.39
RARG P13631 1/20 0.39
MAPK1 P28482 3/20 0.38
HTT P42858 3/20 0.38
MAPT P10636 2/20 0.38
PTPN1 P18031 1/20 0.38
PTPN6 P29350 1/20 0.38
PTPN11 Q06124 1/20 0.38
APAF1 O14727 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
CASP1 P29466 1/20 0.38

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
SCHEMBL19624536 0.92 MAPK1 (0.39) THRBRARBRARARARGMAPK1
SCHEMBL19624673 0.89 HTT (0.41) THRBRARBRARARARGMAPK1
SCHEMBL19797143 0.88 HTT (0.41) THRBMAPK1HTTMAPTPTPN1
SCHEMBL19796621 0.88 HTT (0.42) THRBRARBRARARARGMAPK1
SCHEMBL19796256 0.87 THRB (0.44) THRBRARBRARARARGMAPK1
SCHEMBL17070363 0.83 CNR2 (0.39) THRBRARBRARARARGMAPK1
SCHEMBL19624416 0.83 PDE4A (0.36) RARBRARARARGHTTESR1
SCHEMBL19624679 0.83 HTT (0.38) THRBRARBRARARARGMAPK1
SCHEMBL19797152 0.83 MEN1 (0.37) THRBRARBRARARARGMAPK1
SCHEMBL19796634 0.83 MAPT (0.43) THRBRARBRARARARGMAPK1

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-3246305-A1 COMPOUND HAVING POLYMERIZABLE GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2017-11-22 EP disclosed