SCHEMBL7780382

SCHEMBL7780382

CCCCCCCCCCOC(=O)Oc1cnc(-c2ccc(OCc3ccccc3)cc2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.47
NPC1 O15118 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 3/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 2/20 0.44
MAOB P27338 1/20 0.44
TP53 P04637 1/20 0.44
ALDH1A1 P00352 3/20 0.44
RAB9A P51151 3/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.43

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
SCHEMBL7839312 0.89 PLA2G2D (0.42) RARBTSHRALDH1A1CYP3A4MAPK1
SCHEMBL9336554 0.89 RARB (0.56) RARBNPC1SMN1; SMN2MAPTNFKB1
SCHEMBL9336606 0.89 RARB (0.56) RARBNPC1SMN1; SMN2MAPTNFKB1
SCHEMBL7648023 0.89 RARB (0.56) RARBNPC1SMN1; SMN2MAPTNFKB1
SCHEMBL7781055 0.85 NR5A1 (0.49) RARBNPC1SMN1; SMN2MAPTNFKB1
SCHEMBL7737535 0.85 NPC1 (0.56) RARBNPC1SMN1; SMN2MAPTTSHR
SCHEMBL7092341 0.84 RARB (0.52) RARBNPC1SMN1; SMN2MAPTLMNA
SCHEMBL7781102 0.81 MAPT (0.46) RARBNPC1SMN1; SMN2MAPTNFKB1
SCHEMBL9338933 0.81 RARB (0.62) RARBNPC1SMN1; SMN2MAPTNFKB1
SCHEMBL9335226 0.81 RARB (0.62) RARBNPC1SMN1; SMN2MAPTNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0745592-B1 Optically active pyrimidine derivatives and antiferroelectric liquid crystal compositions containing the same SEMICONDUCTOR ENERGY LAB (JP) 2001-09-19 EP disclosed
US-5667722-A Antiferroelectric liquid crystal compound and antiferroelectric liquid crystal composition containing the same TAKASAGO INTERNATIONAL CORPORATION (JP) 1997-09-16 US disclosed
EP-0745592-A1 Antiferroelectric liquid crystal compound and antiferroelectric liquid crystal composition containing the same Takasago International Corporation (JP) 1996-12-04 EP disclosed