SCHEMBL13289692

SCHEMBL13289692

C=C(F)C(=O)OCOc1ccc(CCC(=O)OC2CCC(OC(=O)CCc3ccc(OCOC(=O)C(=C)F)cc3)CC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
CYP1A2 P05177 1/20 0.34
FFAR1 O14842 4/20 0.34
FFAR4 Q5NUL3 2/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RAB9A P51151 1/20 0.34
ABCB1 P08183 1/20 0.33
ALDH1A1 P00352 1/20 0.33
EPHX2 P34913 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
SLC5A1 P13866 1/20 0.33
SLC5A2 P31639 1/20 0.33

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
SCHEMBL13289672 0.88 POLB (0.38) MAPTSMN1; SMN2CYP4F2CYP4A11CYP1A2
SCHEMBL13289671 0.87 ITGB3 (0.35) MAPTSMN1; SMN2CYP4F2CYP4A11ITGB3
SCHEMBL13289695 0.84 FFAR1 (0.36) MAPTSMN1; SMN2FFAR1
SCHEMBL13289675 0.82 THRB (0.41) MAPTSMN1; SMN2CYP4F2CYP4A11ITGB3
SCHEMBL13289663 0.76 STS (0.39) MAPTSMN1; SMN2LMNA
SCHEMBL13664640 0.76 FFAR1 (0.35) FFAR1FFAR4LMNAL3MBTL1ADRB2
SCHEMBL13289693 0.75 HTT (0.42) MAPTSMN1; SMN2LMNARAB9AALDH1A1
SCHEMBL13289703 0.74 FFAR1 (0.38) MAPTSMN1; SMN2FFAR1
SCHEMBL13289690 0.73 FFAR1 (0.35) FFAR1
SCHEMBL16657534 0.72 THRB (0.40) MAPTSMN1; SMN2CYP4F2CYP4A11ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9315728-B2 Polymerizable liquid crystal composition and homogeneous-aligned liquid crystal film JNC CORPORATION (JP) 2016-04-19 US disclosed
US-8419973-B2 Polymerizable liquid crystal composition and homeotropically-aligned liquid crystal film JNC CORPORATION (JP) 2013-04-16 US disclosed
US-20100151154-A1 Polymerizable liquid crystal composition and homeotropically-aligned liquid crystal film CHISSO CORPORATION 2010-06-17 US disclosed
US-20100143612-A1 Polymerizable liquid crystal composition and homogeneous-aligned liquid crystal film CHISSO CORPORATION 2010-06-10 US disclosed