SCHEMBL17827804

SCHEMBL17827804

Fc1cc(-c2ccc(C3CCC(C4CC4)CO3)cc2)ccc1-c1cc(F)c(F)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 2/20 0.33
PRKAG1 P54619 2/20 0.33
PRKAA2 P54646 2/20 0.33
PRKAA1 Q13131 2/20 0.33
PRKAG3 Q9UGI9 2/20 0.33
PRKAG2 Q9UGJ0 2/20 0.33
PRKAB1 Q9Y478 2/20 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
SCHEMBL17827800 0.90 PRKAG1 (0.32) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL17827797 0.88 CYP3A4 (0.31) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL13572827 0.86 PRKAB2 (0.32) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL17827790 0.85 CYP11B1 (0.32)
SCHEMBL19500352 0.83 FASN (0.34) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL19500341 0.81 FASN (0.42) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL19509575 0.80 PRKAG1 (0.49) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL17827794 0.80
SCHEMBL19500348 0.79 FASN (0.37)
SCHEMBL19509574 0.79 DPP4 (0.34)

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