SCHEMBL7525064

SCHEMBL7525064

CCC[C@H]1CC[C@H](C2CCC(CCc3cc(F)c(F)c(F)c3)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.35
MAOB P27338 3/20 0.33
MAOA P21397 2/20 0.33
FYN P06241 1/20 0.32
CYP2C9 P11712 1/20 0.31
RIPK1 Q13546 1/20 0.31
NOS3 P29474 3/20 0.31
NOS1 P29475 3/20 0.31
NOS2 P35228 3/20 0.31
HRH3 Q9Y5N1 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 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
SCHEMBL7525081 1.00 TLR4 (0.35) TLR4MAOBMAOAFYNCYP2C9
SCHEMBL7507334 1.00 TLR4 (0.35) TLR4MAOBMAOAFYNCYP2C9
SCHEMBL9763923 0.95 MAOB (0.35) MAOBMAOAFYNCYP2C9RIPK1
SCHEMBL9763928 0.95 MAOB (0.35) MAOBMAOAFYNCYP2C9RIPK1
SCHEMBL12032046 0.94 TLR4 (0.38) TLR4MAOBMAOANOS3NOS1
SCHEMBL12032272 0.94 TLR4 (0.38) TLR4MAOBMAOANOS3NOS1
SCHEMBL9503638 0.93 MAOB (0.34) MAOBMAOAFYNCYP2C9RIPK1
SCHEMBL9503649 0.93 MAOB (0.34) MAOBMAOAFYNCYP2C9RIPK1
SCHEMBL9503645 0.93 MAOB (0.34) MAOBMAOAFYNCYP2C9RIPK1
SCHEMBL21581487 0.92 MAOB (0.33) MAOBMAOANOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0844229-B1 Polyhaloalkyl ether derivatives as well as liquid crystal compositions and liquid crystal display elements containing them CHISSO CORP (JP) 2002-02-06 EP disclosed
US-6187223-B1 SUITABLE AS AN ELECTROOPTIC DISPLAY MATERIAL CHISSO CORPORATION (JP) 2001-02-13 US disclosed
EP-1029842-A2 Polyhaloalkyl ether derivatives as well as liquid crystal compositions and liquid crystal display elements containing them CHISSO CORPORATION (JP) 2000-08-23 EP disclosed
EP-0704512-B1 A liquid crystal composition and a liquid crystal display element using the same CHISSO CORP (JP) 2000-03-08 EP disclosed
US-6007740-A USED PARTICULARLY TO LOWER THRESHOLD VOLTAGE OF LIQUID CRYSTAL COMPOSITIONS, TO ENLARGE A NEMATIC RANGE, SUCH AS INCREASE IN CLEAR POINT OF LIQUID CRYSTAL COMPOSITIONS AND CONTROL REFRACTIVE ANISOTROPIC VALUE CHISSO CORPORATION (JP) 1999-12-28 US disclosed
EP-0679707-B1 Liquid crystalline compound, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 1999-06-16 EP disclosed
EP-0672742-B1 A hexenediyne derivative and a liquid crystal composition CHISSO CORP (JP) 1999-02-10 EP disclosed
EP-0688754-B1 DICYCLOHEXYLETHYLENE DERIVATIVE CHISSO CORP (JP) 1998-10-07 EP disclosed
EP-0844229-A1 Polyhaloalkyl ether derivatives as well as liquid crystal compositions and liquid crystal display elements containing them CHISSO CORPORATION (JP) 1998-05-27 EP disclosed
US-5720899-A Liquid crystalline compound, liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1998-02-24 US disclosed
US-5653911-A Liquid crystalline compound liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1997-08-05 US 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-0502407-B1 Nematic liquid-crystal composition for active matrix application SHARP KK (JP) 1996-02-07 EP disclosed
EP-0688754-A1 DICYCLOHEXYLETHYLENE DERIVATIVE CHISSO CORPORATION (JP) 1995-12-27 EP disclosed
EP-0679707-A1 Liquid crystalline compound, liquid crystal composition and liquid crystal display element Chisso Corporation (JP) 1995-11-02 EP disclosed
EP-0672742-A1 A hexenediyne derivative and a liquid crystal composition CHISSO CORPORATION (JP) 1995-09-20 EP disclosed
US-5330679-A Low temperature stability MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-07-19 US disclosed
EP-0502407-A1 Nematic liquid-crystal composition for active matrix application SHARP CORPORATION (JP) 1992-09-09 EP disclosed