SCHEMBL27804950

SCHEMBL27804950

C=CC(=O)OCCCCCCOc1ccc(C(=O)OCc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.57
▸ TDP1 Q9NUW8 4/20 0.52
▸ SLC6A2 P23975 1/20 0.52
▸ SLC6A3 Q01959 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ HTT P42858 3/20 0.50
▸ ALDH1A1 P00352 4/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ CYP3A4 P08684 2/20 0.46
▸ TSHR P16473 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ NR4A1 P22736 1/20 0.46
▸ NR4A2 P43354 1/20 0.46
▸ NR4A3 Q92570 1/20 0.46

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
SCHEMBL25119461 0.93 THRB (0.68) THRBTDP1SLC6A2SLC6A3KMT2A
SCHEMBL1500554 0.89 HTT (0.46) THRBTDP1KMT2ALMNAHTT
SCHEMBL25119527 0.89 THRB (0.63) THRBTDP1SLC6A2SLC6A3KMT2A
SCHEMBL25119533 0.89 THRB (0.63) THRBTDP1SLC6A2SLC6A3KMT2A
SCHEMBL26691387 0.86 KMT2A (0.51) THRBKMT2ALMNAHTTALDH1A1
SCHEMBL8659363 0.86 THRB (0.61) THRBTDP1HTTALDH1A1RAB9A
SCHEMBL28348355 0.86 THRB (0.61) THRBTDP1HTTALDH1A1RAB9A
SCHEMBL8897475 0.86 THRB (0.61) THRBTDP1HTTALDH1A1RAB9A
SCHEMBL28348357 0.86 THRB (0.61) THRBTDP1LMNAHTTALDH1A1
SCHEMBL27588084 0.86 THRB (0.61) THRBTDP1LMNAHTTALDH1A1

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
CN-102216424-A Optically isotropic liquid crystal medium and optical element JNC CORP 2011-10-12 — — CN disclosed
CN-102007197-A Optically isotropic liquid crystalline medium, and optical element CHISSO CORP 2011-04-06 — — CN disclosed
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