SCHEMBL12566176

SCHEMBL12566176

C=C(C)COCCCCOc1ccc(O)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.56
LTA4H P09960 4/20 0.53
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 1/20 0.43
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
APP P05067 1/20 0.41
PLA2G4B P0C869 2/20 0.40
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40

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
SCHEMBL24935548 0.83 LMNA (0.47) L3MBTL1GAAPLA2G4B
SCHEMBL8388308 0.81 GPR174 (0.51) NR5A1LTA4HPOLB
SCHEMBL9223916 0.81 HTT (0.63) L3MBTL1GAAPLA2G4BPOLBAPEX1
SCHEMBL9501340 0.80 HTT (0.66) L3MBTL1GAAPLA2G4BPOLBAPEX1
SCHEMBL9499422 0.80 HTT (0.66) L3MBTL1GAAPLA2G4BPOLBAPEX1
SCHEMBL9223920 0.80 L3MBTL1 (0.54) L3MBTL1GAAPLA2G4BPOLBAPEX1
SCHEMBL8962570 0.80 HTT (0.66) L3MBTL1GAAPLA2G4BPOLBAPEX1
SCHEMBL2944311 0.80 HTT (0.66) L3MBTL1GAAPLA2G4BPOLBAPEX1
SCHEMBL9499675 0.80 HTT (0.66) L3MBTL1GAAPLA2G4BPOLBAPEX1
SCHEMBL9499305 0.80 HTT (0.66) L3MBTL1GAAPLA2G4BPOLBAPEX1

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-8366962-B2 Polymerizable liquid crystal compounds having oxiranyl group, polymerizable liquid crystal compositions and polymers JNC CORPORATION (JP) 2013-02-05 US disclosed
US-8366962-B2 Polymerizable liquid crystal compounds having oxiranyl group, polymerizable liquid crystal compositions and polymers JNC CORPORATION (JP) 2013-02-05 US disclosed
US-20110147656-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUNDS HAVING OXIRANYL GROUP, POLYMERIZABLE LIQUID CRYSTAL COMPOSITIONS AND POLYMERS CHISSO CORPORATION (JP) 2011-06-23 US disclosed
US-20110147656-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUNDS HAVING OXIRANYL GROUP, POLYMERIZABLE LIQUID CRYSTAL COMPOSITIONS AND POLYMERS CHISSO CORPORATION (JP) 2011-06-23 US disclosed