SCHEMBL13289671

SCHEMBL13289671

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FFAR1 O14842 4/20 0.33
FFAR4 Q5NUL3 3/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
CYP1A2 P05177 1/20 0.33
EGLN1 Q9GZT9 1/20 0.32
RAB9A P51151 1/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ABCB1 P08183 1/20 0.32
MGLL Q99685 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL13289692 0.87 MAPT (0.36) ITGB3ITGA2BMAPTSMN1; SMN2FFAR1
SCHEMBL13289690 0.85 FFAR1 (0.35) FFAR1EGLN1
SCHEMBL13289672 0.85 POLB (0.38) MAPTSMN1; SMN2FFAR1CYP4F2CYP4A11
SCHEMBL13289675 0.79 THRB (0.41) ITGB3ITGA2BMAPTSMN1; SMN2FFAR1
SCHEMBL13289679 0.78 STS (0.37) MAPTSMN1; SMN2RAB9A
SCHEMBL13289694 0.77 HTT (0.40) SMN1; SMN2RAB9ALMNA
SCHEMBL13289695 0.72 FFAR1 (0.36) MAPTSMN1; SMN2FFAR1
SCHEMBL13289703 0.72 FFAR1 (0.38) MAPTSMN1; SMN2FFAR1
SCHEMBL16657534 0.72 THRB (0.40) ITGB3ITGA2BMAPTSMN1; SMN2CYP4F2
SCHEMBL13289718 0.71 USP30 (0.36) L3MBTL1

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