SCHEMBL7911228

SCHEMBL7911228

CCC1CCC(c2cc(F)c(-c3ccc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c3)c(F)c2)CC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.35
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.32
RECQL P46063 1/20 0.31
EPHX2 P34913 1/20 0.31
SCN5A Q14524 1/20 0.31
SCN9A Q15858 1/20 0.31
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
PDE2A O00408 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
SCHEMBL7911157 0.91 GRIN2B (0.33) GRIN2BMEN1USP2MAPTALOX15
SCHEMBL7914143 0.88 APP (0.33) GRIN2BMEN1USP2MAPTALOX15
SCHEMBL7911787 0.85 ALDH1A1 (0.36) MEN1MAPTKMT2A
SCHEMBL8833775 0.85 CYP2C9 (0.33) MEN1MAPTKMT2ARECQLEPHX2
SCHEMBL8833748 0.82 GAA (0.32) MAPTRECQL
SCHEMBL8834268 0.82 GAA (0.34) MAPTRECQL
SCHEMBL7903505 0.80 PPARG (0.33) MEN1USP2MAPTALOX15KMT2A
SCHEMBL7911806 0.79 MEN1 (0.30) MEN1USP2MAPTALOX15KMT2A
SCHEMBL7911807 0.79 MEN1 (0.30) MEN1USP2MAPTALOX15KMT2A
SCHEMBL7911169 0.79 FBP1 (0.32) RECQLEPHX2

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
EP-0640578-B2 Novel liquid crystalline compound having a 1,1,2,3,3,3,-hexafluoropropyl group and liquid crystal composition CHISSO CORP (JP) 2001-06-27 EP disclosed
EP-0640578-B1 Novel liquid crystalline compound having a 1,1,2,3,3,3,-hexafluoropropyl group and liquid crystal composition CHISSO CORP (JP) 1997-11-05 EP disclosed
EP-0640578-A1 Novel liquid crystalline compound having a 1,1,2,3,3,3,-hexafluoropropyl group and liquid crystal composition Chisso Corporation (JP) 1995-03-01 EP disclosed