SCHEMBL5341836

SCHEMBL5341836

CCCCCC1CCC(C2CCC(c3ccc(OC(F)F)cc3)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.42
CYP2C9 P11712 1/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
SPHK1 Q9NYA1 5/20 0.37
ESR2 Q92731 1/20 0.35
RAB9A P51151 1/20 0.35
GAA P10253 1/20 0.35
DRD2 P14416 1/20 0.35
SPHK2 Q9NRA0 1/20 0.33

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
SCHEMBL8095354 1.00 IDO1 (0.42) IDO1CYP2C9MAPTMEN1KMT2A
SCHEMBL8095341 1.00 IDO1 (0.42) IDO1CYP2C9MAPTMEN1KMT2A
SCHEMBL9061323 0.99 IDO1 (0.41) IDO1CYP2C9MAPTMEN1KMT2A
SCHEMBL9062254 0.99 IDO1 (0.41) IDO1CYP2C9MAPTMEN1KMT2A
SCHEMBL9062011 0.99 IDO1 (0.41) IDO1CYP2C9MAPTMEN1KMT2A
SCHEMBL9060213 0.99 IDO1 (0.41) IDO1CYP2C9MAPTMEN1KMT2A
SCHEMBL9062098 0.99 IDO1 (0.41) IDO1CYP2C9MAPTMEN1KMT2A
SCHEMBL9060290 0.96 IDO1 (0.43) IDO1CYP2C9MAPTMEN1KMT2A
SCHEMBL4800577 0.96 IDO1 (0.44) IDO1CYP2C9MAPTMEN1KMT2A
SCHEMBL8379978 0.96 IDO1 (0.44) IDO1CYP2C9MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7186448-B2 Composition and method for temporarily fixing solid JSR CORPORATION (JP) 2007-03-06 US disclosed
US-20060275939-A1 Composition and method for temporarily fixing solids JSR CORPORATION (JP) 2006-12-07 US disclosed
EP-1522567-A1 COMPOSITION AND METHOD FOR TEMPORARILY FIXING SOLID JSR Corporation (JP) 2005-04-13 EP disclosed
US-20040185187-A1 Composition and method for temporarily fixing solid JSR CORPORATION (JP) 2004-09-23 US disclosed
EP-0742275-B1 LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME CHISSO CORP (JP) 2002-03-20 EP disclosed
US-6166798-A TN cell having improved display of grey shades MERCK KGAA (DE) 2000-12-26 US disclosed
EP-0452460-B2 ELECTRO-OPTICAL LIQUID CRYSTAL SYSTEM MERCK PATENT GMBH (DE) 1999-08-11 EP disclosed
EP-0733610-B1 Liquid crystalline compound, liquid crystal composition containing the same and liquid crystal display device CHISSO CORP (JP) 1998-10-28 EP disclosed
EP-0592635-B1 TN CELL WITH IMPROVED GREY-SHADE REPRESENTATION MERCK PATENT GMBH (DE) 1998-10-14 EP disclosed
US-5779936-A FLUORINATED BICYCLOHEXANE OR CYCLOHEXYLETHYL CYCLOHEXANE DERIVATIVE HAVING LOW VISCOSITY AND HIGH CLEARING POINT TEMPERATURE CHISSO CORPORATION (JP) 1998-07-14 US disclosed
EP-0742275-A1 LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME CHISSO CORPORATION (JP) 1996-11-13 EP disclosed
EP-0733610-A1 Liquid crystalline compound, liquid crystal composition containing the same and liquid crystal display device Chisso Corporation (JP) 1996-09-25 EP disclosed
US-5344587-A Nitriles MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-09-06 US disclosed
WO-1991005029-A1 ELECTRO-OPTICAL LIQUID CRYSTAL SYSTEM MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-04-18 WO disclosed