SCHEMBL17827768

SCHEMBL17827768

CCOc1ccc(-c2ccc(CC3CC3)cc2)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.39
KDM4E B2RXH2 1/20 0.37
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
FGFR2 P21802 2/20 0.36
FGFR1 P11362 1/20 0.36
GRM2 Q14416 1/20 0.34
KDM1A O60341 2/20 0.34
PTPRC P08575 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
FPR2 P25090 1/20 0.33
SSTR5 P35346 1/20 0.33
ALDH1A1 P00352 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 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
SCHEMBL26802108 0.87 ABCB1 (0.38) FFAR4
SCHEMBL17827774 0.86 FFAR4 (0.47) FFAR4GRIN1GRIN2BFGFR2FGFR1
SCHEMBL17827787 0.83 CHRM2 (0.35) S1PR1
SCHEMBL9406087 0.83 FFAR4 (0.45) FFAR4GRIN1GRIN2BFGFR2FGFR1
SCHEMBL1311986 0.83 FFAR4 (0.45) FFAR4GRIN1GRIN2BFGFR2FGFR1
SCHEMBL12113639 0.82 FFAR4 (0.44) FFAR4GRIN1GRIN2BFGFR2FGFR1
SCHEMBL22277497 0.82 FFAR4 (0.44) FFAR4GRIN1GRIN2BFGFR2FGFR1
SCHEMBL22277356 0.82 FFAR4 (0.44) FFAR4GRIN1GRIN2BFGFR2FGFR1
SCHEMBL10091331 0.82 FGFR2 (0.40) FFAR4KDM4EFGFR2FGFR1PTPRC
SCHEMBL21609916 0.81 MPL (0.38) KDM1A

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-9404038-B2 Cyclopropyl-bearing liquid crystal compounds and mixtures SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2016-08-02 US disclosed
US-9404038-B2 Cyclopropyl-bearing liquid crystal compounds and mixtures SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2016-08-02 US disclosed
US-20160168461-A1 CYCLOPROPYL-BEARING LIQUID CRYSTAL COMPOUNDS AND MIXTURES SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2016-06-16 US disclosed
US-20160168461-A1 CYCLOPROPYL-BEARING LIQUID CRYSTAL COMPOUNDS AND MIXTURES SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2016-06-16 US disclosed