SCHEMBL19698620

SCHEMBL19698620

C=CC(=O)OCCCCCCOc1ccc(C(=O)Cc2ccc(OC(=O)c3ccc(OCCCCCCOC(=O)C=C)cc3)c(C(=O)OCc3ccccc3)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ HRH2 P25021 1/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ PPARG P37231 1/20 0.36
▸ PPARD Q03181 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYSLTR1 Q9Y271 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36

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
SCHEMBL12567532 0.91 THRB (0.45) THRBL3MBTL1ALDH1A1TSHRTDP1
SCHEMBL22369989 0.91 THRB (0.40) THRBL3MBTL1ALDH1A1TSHRTDP1
SCHEMBL12567464 0.86 CYP3A4 (0.47) THRBL3MBTL1ALDH1A1TSHRTDP1
SCHEMBL8914045 0.86 HTT (0.40) THRBALDH1A1TSHRTDP1CYP3A4
SCHEMBL8913468 0.86 HTT (0.40) THRBALDH1A1TSHRTDP1CYP3A4
SCHEMBL8911984 0.86 HTT (0.40) THRBALDH1A1TSHRTDP1CYP3A4
SCHEMBL8913479 0.86 HTT (0.40) THRBALDH1A1TSHRTDP1CYP3A4
SCHEMBL8914125 0.86 HTT (0.40) THRBALDH1A1TSHRTDP1CYP3A4
SCHEMBL8915738 0.86 HTT (0.40) THRBALDH1A1TSHRTDP1CYP3A4
SCHEMBL8913467 0.86 HTT (0.40) THRBALDH1A1TSHRTDP1CYP3A4

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
US-20170355907-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, AND OPTICALLY ANISOTROPIC BODY, PHASE DIFFERENCE FILM, ANTIREFLECTION FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT PRODUCED USING COMPOSITION DIC CORPORATION (JP) 2017-12-14 — — US disclosed
US-20170355907-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, AND OPTICALLY ANISOTROPIC BODY, PHASE DIFFERENCE FILM, ANTIREFLECTION FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT PRODUCED USING COMPOSITION DIC CORPORATION (JP) 2017-12-14 — — US disclosed
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