SCHEMBL12840939

SCHEMBL12840939

C=CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc(S(=O)(=O)c3ccc(OC(=O)c4ccc(OCCCCOC(=O)C=C)cc4F)cc3)cc2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.39
LSS P48449 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
CRBN Q96SW2 1/20 0.36
POLB P06746 2/20 0.35
HPGD P15428 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL13962708 0.99 TSHR (0.40) THRBLSSMEN1KMT2ATSHR
SCHEMBL16425358 0.99 TSHR (0.40) THRBLSSMEN1KMT2ATSHR
SCHEMBL14026827 0.96 HPGD (0.43) THRBLSSMEN1KMT2ATSHR
SCHEMBL14117072 0.95 POLB (0.44) THRBLSSMEN1KMT2ATSHR
SCHEMBL12840940 0.95 THRB (0.45) THRBLSSMEN1KMT2AALDH1A1
SCHEMBL16900328 0.94 POLB (0.41) THRBLSSMEN1KMT2ATSHR
SCHEMBL13932743 0.94 MEN1 (0.38) THRBLSSMEN1KMT2ATSHR
SCHEMBL12769659 0.94 POLB (0.43) THRBLSSMEN1KMT2ATSHR
SCHEMBL12769660 0.94 POLB (0.43) THRBLSSMEN1KMT2ATSHR
SCHEMBL13932738 0.93 LSS (0.38) THRBLSSMEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9080100-B2 Polymerizable liquid crystal composition JNC CORPORATION (JP) 2015-07-14 US disclosed
US-9080100-B2 Polymerizable liquid crystal composition JNC CORPORATION (JP) 2015-07-14 US disclosed
US-20150029446-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION AND OPTICAL ANISOTROPIC FILM JNC PETROCHEMICAL CORPORATION (JP) 2015-01-29 US disclosed
US-20150029446-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION AND OPTICAL ANISOTROPIC FILM JNC PETROCHEMICAL CORPORATION (JP) 2015-01-29 US disclosed
US-RE42221-E1 Polymerizable liquid crystal composition and polymer thereof CHISSO CORPORATION (JP) 2011-03-15 US disclosed
US-7476423-B2 Polymerizable liquid crystal composition CHISSO CORPORATION (JP) 2009-01-13 US disclosed
US-7476423-B2 Polymerizable liquid crystal composition CHISSO CORPORATION (JP) 2009-01-13 US disclosed
US-20080014374-A1 Polymerizable liquid crystal composition JNC PETROCHEMICAL CORPORATION (JP) 2008-01-17 US disclosed
US-20080014374-A1 Polymerizable liquid crystal composition JNC PETROCHEMICAL CORPORATION (JP) 2008-01-17 US disclosed