SCHEMBL11986162

SCHEMBL11986162

C=C(C)C(=O)OCOc1ccc(C=CC(=O)Oc2ccc(S(=O)(=O)c3ccc(OC(=O)C=Cc4ccc(OCOC(=O)C(=C)C)cc4F)cc3)cc2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
PKM P14618 2/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 1/20 0.38
HTR2A P28223 4/20 0.35
HTR2C P28335 3/20 0.35
KCNH2 Q12809 3/20 0.35
TDP1 Q9NUW8 2/20 0.34
ELANE P08246 2/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAOB P27338 2/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP1B1 Q16678 1/20 0.32
ALDH1A1 P00352 1/20 0.32
APEX1 P27695 1/20 0.31

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
SCHEMBL11986101 0.89 POLB (0.39) PKMPOLBMAPTTDP1ELANE
SCHEMBL11986165 0.87 CA12 (0.39) CA12CA1CA2CA9PKM
SCHEMBL11986144 0.84 MAOB (0.35) CA12CA1CA2CA9POLB
SCHEMBL11986155 0.83 MAPT (0.43) PKMPOLBMAPTTDP1ELANE
SCHEMBL17430971 0.82 CA12 (0.31) CA12CA1CA2CA9TDP1
SCHEMBL11986151 0.81 MAPT (0.41) PKMPOLBMAPTELANEGAA
SCHEMBL13289708 0.81 USP30 (0.37) CA12CA1CA2CA9POLB
SCHEMBL18347571 0.79 USP30 (0.35) CA12CA1CA2CA9POLB
SCHEMBL11986154 0.79 PKM (0.41) PKMPOLBMAPTHTR2AHTR2C
SCHEMBL16746152 0.77

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-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-8246855-B2 Polymerizable liquid crystal composition and optically anisotropic film using the same JNC CORPORATION (JP) 2012-08-21 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
US-20100051866-A1 Polymerizable liquid crystal composition and optically anisotropic film using the same JNC PETROCHEMICAL CORPORATION (JP) 2010-03-04 US disclosed