SCHEMBL4401650

SCHEMBL4401650

C=CCCOc1ccc(-c2ccc(C3CCC(CCC)CC3)cc2)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
ESR2 Q92731 2/20 0.32
DGAT1 O75907 1/20 0.31
SOAT1 P35610 1/20 0.31

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
SCHEMBL19985437 0.94 GABRA1 (0.33) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL4404570 0.93 CYP2C9 (0.36) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL19985441 0.93 GABRA1 (0.33) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL19985445 0.92 MAPT (0.32) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL19985471 0.92 MAPT (0.32) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL19985451 0.92 MAPT (0.32) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL17522393 0.92 CYP2C9 (0.33) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL19985396 0.92 GABRA1 (0.38) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL19985424 0.92 GABRA1 (0.33) GABRA1GABRB2
SCHEMBL8935776 0.91 GABRA1 (0.34) GABRA1GABRB2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180079959-A1 LIQUID CRYSTAL ELEMENT WITH NEGATIVE DIELECTRIC ANISOTROPY DIC CORPORATION (JP) 2018-03-22 US disclosed
US-20180079959-A1 LIQUID CRYSTAL ELEMENT WITH NEGATIVE DIELECTRIC ANISOTROPY DIC CORPORATION (JP) 2018-03-22 US disclosed
US-20140362335-A1 POLYMER-DOPED VERTICALLY-ALIGNED NEMATIC LIQUID CRYSTALS LC VISION, LLC (US) 2014-12-11 US disclosed
US-20140362335-A1 POLYMER-DOPED VERTICALLY-ALIGNED NEMATIC LIQUID CRYSTALS LC VISION, LLC (US) 2014-12-11 US disclosed
US-8834742-B2 Polymer-doped vertically-aligned nematic liquid crystals CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-09-16 US disclosed
US-8834742-B2 Polymer-doped vertically-aligned nematic liquid crystals CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-09-16 US disclosed
US-20120105791-A1 POLYMER-DOPED VERTICALLY-ALIGNED NEMATIC LIQUID CRYSTALS NATIONAL SCIENCE FOUNDATION 2012-05-03 US disclosed
US-20120105791-A1 POLYMER-DOPED VERTICALLY-ALIGNED NEMATIC LIQUID CRYSTALS NATIONAL SCIENCE FOUNDATION 2012-05-03 US disclosed
WO-2012016130-A2 POLYMER-DOPED VERTICALLY-ALIGNED NEMATIC LIQUID CRYSTALS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-02-02 WO disclosed