SCHEMBL20407647

SCHEMBL20407647

C=C(CO)C(=O)OCCOc1cc(OCCOC)cc(-c2ccc(C3CCC(CCCCC(F)(F)F)CC3)cc2)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MGAT2 Q10469 4/20 0.35
▸ MOGAT2 Q3SYC2 4/20 0.33
▸ CYP2C9 P11712 2/20 0.32
▸ P2RY14 Q15391 1/20 0.31
▸ MMP2 P08253 1/20 0.31
▸ MMP3 P08254 1/20 0.31
▸ USP30 Q70CQ3 1/20 0.31
▸ LNPEP Q9UIQ6 1/20 0.30
▸ FFAR4 Q5NUL3 1/20 0.30
▸ DGAT1 O75907 1/20 0.30
▸ SOAT1 P35610 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL19855363 0.96 MGAT2 (0.34) MGAT2MOGAT2CYP2C9P2RY14LNPEP
SCHEMBL20322686 0.91 P2RY14 (0.39) MGAT2MOGAT2P2RY14FFAR4
SCHEMBL20407450 0.91 ALDH1A1 (0.35) CYP2C9P2RY14MMP2MMP3USP30
SCHEMBL20407728 0.90 MMP2 (0.41) MGAT2MOGAT2CYP2C9MMP2MMP3
SCHEMBL19855964 0.90 DGAT1 (0.33) MGAT2CYP2C9P2RY14LNPEPFFAR4
SCHEMBL20322936 0.89 ESR2 (0.33) MGAT2CYP2C9P2RY14FFAR4DGAT1
SCHEMBL19855555 0.88 FFAR4 (0.34) MGAT2MOGAT2CYP2C9FFAR4
SCHEMBL19854207 0.87 DGAT1 (0.32) MGAT2P2RY14LNPEPFFAR4DGAT1
SCHEMBL19855372 0.87 FFAR4 (0.33) CYP2C9FFAR4DGAT1SOAT1
SCHEMBL19854416 0.87 RAB9A (0.37) CYP2C9P2RY14DGAT1SOAT1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3351525-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2018-07-25 — — EP disclosed
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