SCHEMBL8733405

SCHEMBL8733405

CCC[C@H]1CC[C@H](/C=C/[C@H]2CC[C@H](c3cc(F)c(F)c(F)c3)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
ESR2 Q92731 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
SCHEMBL8733410 1.00 CYP2C9 (0.40) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8733412 1.00 CYP2C9 (0.40) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8733407 1.00 CYP2C9 (0.40) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8025938 0.92 CYP1A2 (0.35) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8025944 0.92 CYP1A2 (0.35) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8025934 0.92 CYP1A2 (0.35) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8025940 0.92 CYP1A2 (0.35) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6159058 0.91 CYP2C9 (0.46) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6159054 0.91 CYP2C9 (0.46) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8734719 0.90 MEN1 (0.35) 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
EP-0688754-B1 DICYCLOHEXYLETHYLENE DERIVATIVE CHISSO CORP (JP) 1998-10-07 EP disclosed
US-5641432-A USEFUL IN LIQUID CRYSTAL COMPOSITIONS; WIDE LIQUID CRYSTAL PHASE TEMPERATURE RANGE, LOW VISCOSITY, HIGH STABILITY; COMPATIBILITY WITH OTHER LIQUID CRYSTAL COMPOUNDS CHISSO CORPORATION (JP) 1997-06-24 US disclosed
EP-0688754-A1 DICYCLOHEXYLETHYLENE DERIVATIVE CHISSO CORPORATION (JP) 1995-12-27 EP disclosed