SCHEMBL4404570

SCHEMBL4404570

C=CCCCCCCCCCOc1ccc(-c2ccc(C3CCC(CCC)CC3)cc2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
CNR2 P34972 2/20 0.32
CNR1 P21554 1/20 0.31
ESR2 Q92731 1/20 0.30
DGAT1 O75907 1/20 0.30
SOAT1 P35610 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
SCHEMBL4401650 0.93 CYP2C9 (0.38) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL19985422 0.92 GABRA1 (0.35) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL19985401 0.92 GABRA1 (0.35) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL19985403 0.92 GABRA1 (0.35) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL19985398 0.92 GABRA1 (0.35) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL19985419 0.91 GABRA1 (0.35) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL19985400 0.90 CNR2 (0.35) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL19985327 0.90 CYP2C9 (0.40) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL19985326 0.90 CYP2C9 (0.40) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL19985329 0.90 CYP2C9 (0.40) CYP2C9ALDH1A1LMNAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20120105791-A1 POLYMER-DOPED VERTICALLY-ALIGNED NEMATIC LIQUID CRYSTALS NATIONAL SCIENCE FOUNDATION 2012-05-03 US disclosed