SCHEMBL16638478

SCHEMBL16638478

CCOc1ccc(CCC2CCC(C3CCC(C)CC3)CC2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
KDM1A O60341 2/20 0.32
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30

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
SCHEMBL16270061 0.96 ALDH1A1 (0.34) ALDH1A1KDM1AFFAR4
SCHEMBL22277545 0.91 KDM1A (0.33) KDM1AHTR2AHTR2CFFAR4
SCHEMBL13417711 0.91 KDM1A (0.33) KDM1AHTR2AHTR2CFFAR4
SCHEMBL16769040 0.91 KDM1A (0.33) ALDH1A1KDM1AHTR2AHTR2CFFAR4
SCHEMBL3437330 0.91 KDM1A (0.33) KDM1AHTR2AHTR2CFFAR4
SCHEMBL16769034 0.91 CACNA2D1 (0.34) ALDH1A1KDM1AHTR2AHTR2C
SCHEMBL13235326 0.90 ALDH1A1 (0.33) ALDH1A1HTR2AHTR2C
SCHEMBL13235328 0.90 ALDH1A1 (0.33) ALDH1A1HTR2AHTR2C
SCHEMBL21609933 0.90 CEL (0.35) ALDH1A1KDM1A
SCHEMBL3437343 0.88 CYP1A2 (0.33) KDM1AHTR2AHTR2C

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
US-20170045765-A1 LCD DEVICE DIC CORPORATION (JP) 2017-02-16 US disclosed
US-20160122650-A1 POLYMERIZABLE COMPOUND-CONTAINING LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME DIC CORPORATION (JP) 2016-05-05 US disclosed
US-20150299570-A1 LIQUID CRYSTAL COMPOSITION COMPRISING POLYMERIZABLE COMPOUNDS AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME DIC CORPORATION (JP) 2015-10-22 US disclosed
US-20150299570-A1 LIQUID CRYSTAL COMPOSITION COMPRISING POLYMERIZABLE COMPOUNDS AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME DIC CORPORATION (JP) 2015-10-22 US disclosed
US-9005477-B2 Liquid crystal composition containing polymerizable compound and liquid crystal display element using the same DIC CORPORATION (JP) 2015-04-14 US disclosed