SCHEMBL9340758

SCHEMBL9340758

CCCCCCCCO[C@@H](C)C(=O)Oc1ccc(C(=O)Oc2ccc(-c3ccc(C(=O)O[C@@H](C)CCCCCC)cc3)cc2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
NPC1 O15118 3/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RARB P10826 3/20 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
SCHEMBL9340763 1.00 MAPT (0.39) MAPTNPC1LMNAALDH1A1NFKB1
SCHEMBL10397802 0.90 THRA (0.48) MAPTNPC1LMNAALDH1A1NFKB1
SCHEMBL29663153 0.88 TSHR (0.48) NPC1LMNANFKB1NFKB2RELA
SCHEMBL10523932 0.88 THRA (0.48) MAPTNPC1LMNAALDH1A1NFKB1
SCHEMBL8609019 0.88 TSHR (0.48) NPC1LMNANFKB1NFKB2RELA
SCHEMBL8608185 0.87 THRA (0.50) MAPTNPC1LMNAALDH1A1NFKB1
SCHEMBL9340648 0.86 TSHR (0.44) MAPTNPC1LMNAALDH1A1NFKB1
SCHEMBL9340651 0.86 TSHR (0.44) MAPTNPC1LMNAALDH1A1NFKB1
SCHEMBL14802211 0.86 TSHR (0.44) MAPTNPC1LMNAALDH1A1NFKB1
SCHEMBL9340843 0.86 TSHR (0.44) MAPTNPC1LMNAALDH1A1NFKB1

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
US-5324451-A Excellent response and memory DAINIPPON INK AND CHEMICALS, INC. (JP) 1994-06-28 US disclosed
EP-0329153-B1 NOVEL LACTIC ACID DERIVATIVES AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THE SAME DAINIPPON INK AND CHEMICALS, INC. (JP) 1992-10-21 EP disclosed
EP-0329153-A2 Novel lactic acid derivatives and liquid crystal compositions containing the same DAINIPPON INK AND CHEMICALS, INC. (JP) 1989-08-23 EP disclosed