SCHEMBL7917336

SCHEMBL7917336

CCC1CCC(C=Cc2ccc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c2)CC1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.33
RECQL P46063 1/20 0.33
PDE4B Q07343 1/20 0.32
EPHX2 P34913 1/20 0.31
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
KMT2A Q03164 1/20 0.30
ACACB O00763 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
ACACA Q13085 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
SCHEMBL7917339 1.00 FBP1 (0.33) FBP1RECQLPDE4BEPHX2MEN1
SCHEMBL7917334 1.00 FBP1 (0.33) FBP1RECQLPDE4BEPHX2MEN1
SCHEMBL7911958 0.97 FBP1 (0.32) FBP1RECQLPDE4B
SCHEMBL7911962 0.97 FBP1 (0.32) FBP1RECQLPDE4B
SCHEMBL8833955 0.89 TUBB1 (0.33) RECQLPDE4B
SCHEMBL8833949 0.89 TUBB1 (0.33) RECQLPDE4B
SCHEMBL8833959 0.89 TUBB1 (0.33) RECQLPDE4B
SCHEMBL7911166 0.85 FBP1 (0.32) FBP1RECQLPDE4BEPHX2
SCHEMBL7911169 0.85 FBP1 (0.32) FBP1RECQLPDE4BEPHX2
SCHEMBL7911915 0.83 GRM2 (0.31)

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