SCHEMBL8025944

SCHEMBL8025944

CCCCC1CCC(C=CC2CCC(c3cc(F)c(F)c(F)c3)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.33
MAPK1 P28482 4/20 0.32
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
MAPT P10636 4/20 0.32
LMNA P02545 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 3/20 0.32
NPC1 O15118 1/20 0.32
CYP2D6 P10635 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
HTT P42858 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
SCHEMBL8025934 1.00 CYP1A2 (0.35) CYP1A2CYP2C9MAPK1MEN1KMT2A
SCHEMBL8025940 1.00 CYP1A2 (0.35) CYP1A2CYP2C9MAPK1MEN1KMT2A
SCHEMBL8025938 1.00 CYP1A2 (0.35) CYP1A2CYP2C9MAPK1MEN1KMT2A
SCHEMBL8734709 0.96 MEN1 (0.35) CYP1A2CYP2C9MAPK1MEN1KMT2A
SCHEMBL8734716 0.96 MEN1 (0.35) CYP1A2CYP2C9MAPK1MEN1KMT2A
SCHEMBL8734712 0.96 MEN1 (0.35) CYP1A2CYP2C9MAPK1MEN1KMT2A
SCHEMBL8734719 0.96 MEN1 (0.35) CYP1A2CYP2C9MAPK1MEN1KMT2A
SCHEMBL8734655 0.95 MAPT (0.36) CYP1A2CYP2C9MAPK1MEN1KMT2A
SCHEMBL8734647 0.95 MAPT (0.36) CYP1A2CYP2C9MAPK1MEN1KMT2A
SCHEMBL8736468 0.95 MAPT (0.36) CYP1A2CYP2C9MAPK1MEN1KMT2A

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
EP-0704512-B1 A liquid crystal composition and a liquid crystal display element using the same CHISSO CORP (JP) 2000-03-08 EP disclosed
EP-0688754-B1 DICYCLOHEXYLETHYLENE DERIVATIVE CHISSO CORP (JP) 1998-10-07 EP disclosed
EP-0704512-A1 A liquid crystal composition and a liquid crystal display element using the same Chisso Corporation (JP) 1996-04-03 EP disclosed
EP-0688754-A1 DICYCLOHEXYLETHYLENE DERIVATIVE CHISSO CORPORATION (JP) 1995-12-27 EP disclosed