SCHEMBL2336460

SCHEMBL2336460

COc1ccccc1CCC(=O)c1ccccc1Cc1ccccc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
PKM P14618 1/20 0.52
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
CYP2C9 P11712 1/20 0.49
HIF1A Q16665 1/20 0.49
HPGD P15428 1/20 0.49
TAAR1 Q96RJ0 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
CTNNB1 P35222 1/20 0.46
WNT3A P56704 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC1 Q13547 1/20 0.46
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CASP3 P42574 1/20 0.45
CASP7 P55210 1/20 0.45

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
SCHEMBL2336465 0.89 NPC1 (0.59) NPC1RAB9APKMMTNR1AMTNR1B
SCHEMBL10830351 0.85 NPC1 (0.63) NPC1RAB9APKMMTNR1AMTNR1B
SCHEMBL6204029 0.80 NPC1 (0.55) NPC1RAB9APKMMTNR1AMTNR1B
SCHEMBL15540355 0.80 HPGD (0.53) CYP2C9HIF1AHPGDTAAR1ALDH1A1
SCHEMBL30800373 0.79 MTNR1A (0.60) MTNR1AMTNR1BTAAR1CASP3CASP7
SCHEMBL7331644 0.79 MTNR1A (0.60) MTNR1AMTNR1BTAAR1CASP3CASP7
SCHEMBL266525 0.77 MTNR1A (0.63) MTNR1AMTNR1BTAAR1KMT2AALDH1A1
SCHEMBL362209 0.77 LMNA (0.59) MTNR1AMTNR1BHPGDTAAR1SMN1; SMN2
SCHEMBL29590071 0.77 LMNA (0.59) MTNR1AMTNR1BHPGDTAAR1SMN1; SMN2
SCHEMBL30365164 0.77 MTNR1A (0.63) MTNR1AMTNR1BTAAR1KMT2AALDH1A1

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