SCHEMBL12769641

SCHEMBL12769641

C=CC(=O)OCCCCCCOc1ccc(/C=C/C(=O)Oc2ccc(S(=O)(=O)c3ccc(OC(=O)/C=C/c4ccc(OCCCCCCOC(=O)C=C)cc4)cc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALB P02768 1/20 0.41
APP P05067 6/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTT P42858 1/20 0.39
PPARA Q07869 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL12769648 0.99 THRB (0.45) THRBALDH1A1CYP3A4TSHRLMNA
SCHEMBL13962712 0.95 PPARA (0.44) THRBALDH1A1CYP3A4TSHRLMNA
SCHEMBL13932729 0.95 LMNA (0.40) THRBALDH1A1CYP3A4TSHRLMNA
SCHEMBL14026823 0.94 LMNA (0.51) CYP3A4LMNASMN1; SMN2KMT2APPARA
SCHEMBL13932732 0.94 PPARA (0.45) THRBLMNASMN1; SMN2APPKMT2A
SCHEMBL14117066 0.94 LMNA (0.41) THRBALDH1A1CYP3A4TSHRLMNA
SCHEMBL12769636 0.93 THRB (0.52) THRBALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL14026824 0.88 THRB (0.47) THRBALDH1A1KMT2AGAANPSR1
SCHEMBL13932733 0.88 THRB (0.47) THRBLMNASMN1; SMN2KMT2AGAA
SCHEMBL14117068 0.88 THRB (0.47) THRBLMNASMN1; SMN2KMT2AGAA

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 6 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-RE42221-E1 Polymerizable liquid crystal composition and polymer thereof CHISSO CORPORATION (JP) 2011-03-15 US disclosed