SCHEMBL9504781

SCHEMBL9504781

CCCCCCCOc1ccc(COc2ccc(-c3ccc(C(=O)OC(C)CCCCCC)cc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.55
TSHR P16473 2/20 0.55
TP53 P04637 1/20 0.49
PLA2G4B P0C869 3/20 0.48
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
ALDH1A1 P00352 1/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
PPARG P37231 2/20 0.45
PPARA Q07869 1/20 0.45

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
SCHEMBL8609008 0.98 RARB (0.55) RARBTSHRTP53PLA2G4BNFKB1
SCHEMBL16602456 0.97 TSHR (0.58) RARBTSHRTP53PLA2G4BNFKB1
SCHEMBL9322600 0.93 RARB (0.63) RARBTSHRTP53PLA2G4BNFKB1
SCHEMBL9502498 0.93 RARB (0.63) RARBTSHRTP53PLA2G4BNFKB1
SCHEMBL8973478 0.93 RARB (0.63) RARBTSHRTP53PLA2G4BNFKB1
SCHEMBL18747587 0.93 RARB (0.63) RARBTSHRTP53PLA2G4BNFKB1
SCHEMBL9502531 0.93 RARB (0.63) RARBTSHRTP53PLA2G4BNFKB1
SCHEMBL9816871 0.91 ALDH1A1 (0.54) RARBTSHRALDH1A1LMNARXRA
SCHEMBL9226611 0.90 TSHR (0.51) RARBTSHRTP53PLA2G4BALDH1A1
SCHEMBL9217693 0.90 TSHR (0.51) RARBTSHRTP53PLA2G4BALDH1A1

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-0160302-B1 FERROELECTRIC LIQUID CRYSTAL CELL HITACHI, LTD. (JP) 1993-07-21 EP disclosed
EP-0160302-A2 Ferroelectric liquid crystal cell HITACHI, LTD. (JP) 1985-11-06 EP disclosed