SCHEMBL11986161

SCHEMBL11986161

C=CC(=O)OCOc1ccc(CCC(=O)Oc2ccc(S(=O)(=O)c3ccc(OC(=O)CCc4ccc(OCOC(=O)C=C)cc4F)cc3)cc2)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
KMT2A Q03164 1/20 0.34
THRB P10828 3/20 0.33
FFAR1 O14842 8/20 0.33
ALDH1A1 P00352 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
ELANE P08246 1/20 0.32
CA2 P00918 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
SCHEMBL12154306 0.89 GAA (0.39) PKMPOLBMAPTGAANPSR1
SCHEMBL15582418 0.88 THRB (0.38) THRBFFAR1FFAR4
SCHEMBL11986154 0.84 PKM (0.41) PKMPOLBMAPTGAANPSR1
SCHEMBL11986145 0.84 FFAR1 (0.34) KMT2ATHRBFFAR1FFAR4
SCHEMBL11986160 0.84 THRB (0.45) PKMPOLBMAPTGAANPSR1
SCHEMBL11986152 0.82 POLB (0.36) PKMPOLBMAPTGAANPSR1
SCHEMBL12567704 0.81 GAA (0.33) PKMPOLBMAPTGAANPSR1
SCHEMBL13664618 0.80 AKR1C3 (0.35) THRBFFAR1ALDH1A1FFAR4
SCHEMBL11986165 0.80 CA12 (0.39) PKMPOLBMAPTGAANPSR1
SCHEMBL12769580 0.80 GAA (0.40) PKMPOLBMAPTGAANPSR1

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