SCHEMBL22561099

SCHEMBL22561099

C=C(COC)c1ccc(C2=CCC(c3ccc(OC)cc3)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.39
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
DRD2 P14416 1/20 0.34
LMNA P02545 2/20 0.33
DGAT1 O75907 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
HPGD P15428 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD11B1 P28845 1/20 0.32
ESR2 Q92731 1/20 0.32

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
SCHEMBL22561146 0.89 MCHR1 (0.34) ALDH1A1SMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL22269082 0.83 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL22459365 0.78 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL8552180 0.75 LMNA (0.51) ALDH1A1SMN1; SMN2MAPTL3MBTL1LMNA
SCHEMBL20126164 0.72 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL12769090 0.72 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL12769092 0.71 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL2720781 0.71 ESR2 (0.41) ALDH1A1SMN1; SMN2NPC1RAB9AESR2
SCHEMBL2718585 0.69 HRH3 (0.40) ALDH1A1RAB9ADRD2ESR2
SCHEMBL9810403 0.68 PKM (0.41) ALDH1A1SMN1; SMN2MAPK1MEN1KMT2A

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-3725764-A1 POLYMERIZABLE COMPOUND HAVING METHOXYMETHYL ACRYLIC GROUP, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE JNC Corporation (JP) 2020-10-21 EP disclosed