SCHEMBL2336465

SCHEMBL2336465

COc1ccccc1CCC(=O)c1ccccc1OC

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
PKM P14618 1/20 0.59
HPGD P15428 1/20 0.56
CTNNB1 P35222 5/20 0.56
WNT3A P56704 5/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC1 Q13547 1/20 0.56
MTNR1A P48039 1/20 0.54
MTNR1B P49286 1/20 0.54
TAAR1 Q96RJ0 1/20 0.51
CTSD P07339 1/20 0.51
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 1/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 1/20 0.50

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
SCHEMBL2336460 0.89 NPC1 (0.52) NPC1RAB9APKMHPGDCTNNB1
SCHEMBL10830351 0.89 NPC1 (0.63) NPC1RAB9APKMHPGDMTNR1A
SCHEMBL7188085 0.86 PKM (0.64) NPC1RAB9APKMHPGDCTNNB1
SCHEMBL15979734 0.86 CTNNB1 (0.71) NPC1RAB9ACTNNB1WNT3AHDAC8
SCHEMBL6204029 0.83 NPC1 (0.55) NPC1RAB9APKMMTNR1AMTNR1B
SCHEMBL6203601 0.83 ABCB1 (0.62) NPC1RAB9AHPGDCTNNB1WNT3A
SCHEMBL7193844 0.83 NPC1 (0.51) NPC1RAB9APKMHPGDCTNNB1
SCHEMBL332837 0.83 TTR (0.66) NPC1HPGDCTNNB1WNT3AHDAC8
SCHEMBL7331644 0.82 MTNR1A (0.60) MTNR1AMTNR1BTAAR1
SCHEMBL30800373 0.82 MTNR1A (0.60) MTNR1AMTNR1BTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2360229-B1 OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM AND OPTICAL ELEMENT JNC CORP (JP) 2016-08-31 EP disclosed
US-20130289316-A1 OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM AND OPTICAL DEVICE JNC CORP (JP) 2013-10-31 US disclosed
US-8501285-B2 Optically isotropic liquid crystal medium and optical device JNC CORPORATION (JP) 2013-08-06 US disclosed
US-20110242473-A1 OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM AND OPTICAL DEVICE JNC CORPORATION (JP) 2011-10-06 US disclosed
EP-2360229-A1 OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM AND OPTICAL ELEMENT JNC Corporation (JP) 2011-08-24 EP disclosed