SCHEMBL12736282

SCHEMBL12736282

CCc1ccc(-c2ccc(C3CCC(COC)CC3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.38
SPHK1 Q9NYA1 3/20 0.37
ESR2 Q92731 4/20 0.37
CYP2C9 P11712 3/20 0.37
ESR1 P03372 3/20 0.37
CYP3A4 P08684 2/20 0.37
DGAT1 O75907 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
DRD2 P14416 1/20 0.34
CYP2D6 P10635 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR5 Q9H228 1/20 0.33

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
SCHEMBL10860757 0.88 SPHK1 (0.44) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL10862270 0.84 CYP2C9 (0.52) SPHK1ESR2CYP2C9ESR1CYP3A4
SCHEMBL11210312 0.84 CYP2C9 (0.52) SPHK1ESR2CYP2C9ESR1CYP3A4
SCHEMBL8732388 0.84 NPC1 (0.50) ESR2CYP2C9ESR1CYP3A4DGAT1
SCHEMBL8732391 0.84 NPC1 (0.50) ESR2CYP2C9ESR1CYP3A4DGAT1
SCHEMBL17549574 0.84 ESR2 (0.49) ESR2CYP2C9ESR1CYP3A4DGAT1
SCHEMBL18866839 0.84 ESR2 (0.41) ESR2CYP2C9ESR1CYP3A4ALDH1A1
SCHEMBL9454671 0.83 ESR2 (0.41) SPHK1ESR2CYP2C9ESR1CYP3A4
SCHEMBL9454666 0.83 ESR2 (0.41) SPHK1ESR2CYP2C9ESR1CYP3A4
SCHEMBL8725091 0.83 ESR2 (0.38) EP300ESR2CYP2C9ESR1CYP3A4

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
EP-1939268-B1 LIGHT-MODULATING LIQUID-CRYSTAL ELEMENT ADEKA CORP (JP) 2012-11-07 EP disclosed
US-7923078-B2 Light-modulating liquid-crystal element ADEKA CORPORATION (JP) 2011-04-12 US disclosed
US-7923078-B2 Light-modulating liquid-crystal element ADEKA CORPORATION (JP) 2011-04-12 US disclosed
US-20090279043-A1 LIGHT-MODULATING LIQUID-CRYSTAL ELEMENT ADEKA CORPORATION (JP) 2009-11-12 US disclosed
US-20090279043-A1 LIGHT-MODULATING LIQUID-CRYSTAL ELEMENT ADEKA CORPORATION (JP) 2009-11-12 US disclosed
EP-1939268-A1 LIGHT-MODULATING LIQUID-CRYSTAL ELEMENT Adeka Corporation (JP) 2008-07-02 EP disclosed