SCHEMBL16606325

SCHEMBL16606325

c1cn(CN(CC2CO2)CC2CO2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 1/20 0.39
TBXAS1 P24557 2/20 0.37
CYP11B1 P15538 6/20 0.37
CYP11B2 P19099 5/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 1/20 0.34
CYP19A1 P11511 1/20 0.34
FDPS P14324 2/20 0.33
GGPS1 O95749 2/20 0.33
BTN3A1 O00481 1/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
LMNA P02545 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 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
SCHEMBL9634683 0.76
SCHEMBL16606331 0.76 LMNA (0.31) LMNA
SCHEMBL28659209 0.73 TBXAS1 (0.50) CYP2B6TBXAS1CYP11B1CYP11B2CYP19A1
SCHEMBL19987623 0.69 ALDH1A1 (0.42) ALDH1A1LMNA
SCHEMBL1159862 0.69 ALDH1A1 (0.42) ALDH1A1LMNA
Hydrochloric Acid SCHEMBL28585818 0.67 ALDH1A1 (0.40) ALDH1A1LMNA
SCHEMBL8151866 0.66 TBXAS1 (0.41) CYP2B6TBXAS1CYP11B1CYP11B2CYP1A2
SCHEMBL29079742 0.66 CYP2B6 (0.55) CYP2B6TBXAS1CYP11B1CYP11B2ALDH1A1
SCHEMBL29111008 0.66 CYP2B6 (0.55) CYP2B6TBXAS1CYP11B1CYP11B2ALDH1A1
SCHEMBL112765 0.65

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-9260663-B2 Liquid crystal composition, liquid crystal display, and method for producing liquid crystal display JSR CORPORATION (JP) 2016-02-16 US disclosed
US-9260663-B2 Liquid crystal composition, liquid crystal display, and method for producing liquid crystal display JSR CORPORATION (JP) 2016-02-16 US disclosed
US-20150092147-A1 LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY, AND METHOD FOR PRODUCING LIQUID CRYSTAL DISPLAY JSR CORPORATION (JP) 2015-04-02 US disclosed
US-20150092147-A1 LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY, AND METHOD FOR PRODUCING LIQUID CRYSTAL DISPLAY JSR CORPORATION (JP) 2015-04-02 US disclosed