SCHEMBL7731796

SCHEMBL7731796

CCC[C@H]1CC[C@H](C2CC[CH]CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.40
CYP2C9 P11712 1/20 0.35
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.33
FYN P06241 1/20 0.32

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
SCHEMBL6317333 1.00 TLR4 (0.40) TLR4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL7770981 1.00 TLR4 (0.40) TLR4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL7770983 1.00 TLR4 (0.40) TLR4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL9182372 0.87 CYP1A2 (0.50) TLR4CYP2C9LMNAMAPTMEN1
SCHEMBL9182380 0.87 CYP1A2 (0.50) TLR4CYP2C9LMNAMAPTMEN1
SCHEMBL9183942 0.86 CYP2C9 (0.37) TLR4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL9183947 0.86 CYP2C9 (0.37) TLR4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL42998 0.85
SCHEMBL5836340 0.85 TLR4 (0.42) TLR4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL5836344 0.85 TLR4 (0.42) TLR4CYP2C9ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0929508-B1 LIQUID CRYSTALLINE (E,E)-BUTADIENE COMPOUNDS AND MIXTURES AND DEVICES CONTAINING SUCH COMPOUNDS QINETIQ LTD (GB) 2002-03-20 EP disclosed
US-6333082-B1 USEFUL IN SUPER TWISTED NEMATIC LIQUID CRYSTAL DISPLAYS QINETIQ LTD (GB) 2001-12-25 US disclosed
EP-0747336-B1 Alkenyl cyclohexane derivatives and liquid crystal compositions CHISSO CORP (JP) 2001-07-25 EP disclosed
EP-0929508-A1 LIQUID CRYSTALLINE ($i(E,E))-BUTADIENE COMPOUNDS AND MIXTURES AND DEVICES CONTAINING SUCH COMPOUNDS THE SECRETARY OF STATE FOR DEFENCE (GB) 1999-07-21 EP disclosed
WO-1998013325-A1 LIQUID CRYSTALLINE (E,E)-BUTADIENE COMPOUNDS AND MIXTURES AND DEVICES CONTAINING SUCH COMPOUNDS THE SECRETARY OF STATE FOR DEFENCE (GB) 1998-04-02 WO disclosed
US-5709820-A MIXTURES CHISSO CORPORATION (JP) 1998-01-20 US disclosed
EP-0747336-A1 Alkenyl cyclohexane derivatives and liquid crystal compositions Chisso Corporation (JP) 1996-12-11 EP disclosed
US-5380462-A Cyclohexyl alkenoate compounds HOFFMANN-LA ROCHE INC. (US) 1995-01-10 US disclosed
EP-0394417-B1 SUPERTWIST LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 1994-10-26 EP disclosed
EP-0394419-B1 MATRIX LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 1994-09-21 EP disclosed
US-5032312-A Liquid crystals HOFFMANN-LA ROCHE INC. (US) 1991-07-16 US disclosed
EP-0406468-A1 Nematic-liquid-crystal composition for active matrix application SHARP CORPORATION (JP) 1991-01-09 EP disclosed
EP-0394419-A1 MATRIX LIQUID CRYSTAL DISPLAY. MERCK PATENT GMBH (DE) 1990-10-31 EP disclosed
EP-0394417-A1 SUPERTWIST LIQUID CRYSTAL DISPLAY. MERCK PATENT GMBH (DE) 1990-10-31 EP disclosed
EP-0393636-A2 Liquid crystal composition and liquid crystal display using said composition CHISSO CORPORATION (JP) 1990-10-24 EP disclosed
WO-1990004623-A1 MATRIX LIQUID CRYSTAL DISPLAY MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-05-03 WO disclosed
WO-1989003867-A1 IMPROVED LIQUID CRYSTAL MIXTURE CASIO COMPUTER COMPANY LIMITED (JP) 1989-05-05 WO disclosed