SCHEMBL13899698

SCHEMBL13899698

C=CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc3cc(C)ccc3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.44
KMT2A Q03164 6/20 0.44
TDP1 Q9NUW8 3/20 0.44
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
GBA1 P04062 1/20 0.43
HTT P42858 3/20 0.42
NPC1 O15118 2/20 0.42
LMNA P02545 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 2/20 0.40
HPGD P15428 2/20 0.40

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
SCHEMBL17049597 0.98 THRB (0.44) THRBKMT2ATDP1MAPTL3MBTL1
SCHEMBL15425237 0.93 THRB (0.50) THRBKMT2ATDP1MAPTL3MBTL1
SCHEMBL12604136 0.92 HTT (0.49) THRBKMT2ATDP1MAPTL3MBTL1
SCHEMBL12702920 0.91 KMT2A (0.41) THRBKMT2ATDP1MAPTGBA1
SCHEMBL12304811 0.89 NPC1 (0.49) THRBKMT2ATDP1MAPTL3MBTL1
SCHEMBL16379486 0.89 NPC1 (0.49) THRBKMT2ATDP1MAPTL3MBTL1
SCHEMBL14484284 0.89 NPC1 (0.49) THRBKMT2ATDP1MAPTL3MBTL1
SCHEMBL15582428 0.89 HTT (0.38) THRBKMT2ATDP1MAPTL3MBTL1
SCHEMBL17549440 0.89 TDP1 (0.58) THRBKMT2ATDP1MAPTL3MBTL1
SCHEMBL13149849 0.88 NPC1 (0.50) THRBKMT2ATDP1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7497970-B2 Chiral agent for liquid crystal, liquid crystal composition and polymer, as well as filter for optical recording medium, optical recording medium and color filter liquid for crystal FUJIFILM CORPORATION (JP) 2009-03-03 US disclosed
US-7497970-B2 Chiral agent for liquid crystal, liquid crystal composition and polymer, as well as filter for optical recording medium, optical recording medium and color filter liquid for crystal FUJIFILM CORPORATION (JP) 2009-03-03 US disclosed
US-20070228325-A1 Chiral agent for liquid crystal, liquid crystal composition and polymer, as well as filter for optical recording medium, optical recording medium and color filter liquid for crystal FUJIFILM CORPORATION (JP) 2007-10-04 US disclosed
US-20070228325-A1 Chiral agent for liquid crystal, liquid crystal composition and polymer, as well as filter for optical recording medium, optical recording medium and color filter liquid for crystal FUJIFILM CORPORATION (JP) 2007-10-04 US disclosed