SCHEMBL5348257

SCHEMBL5348257

CCCCCCCC1COC(c2ccc(C#N)cc2)OC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.48
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 3/20 0.38
MGLL Q99685 1/20 0.36
CYP2A6 P11509 1/20 0.34
CYP19A1 P11511 6/20 0.34
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
HTT P42858 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL9362814 1.00 GRM2 (0.48) GRM2TSHRHSD17B10ALDH1A1MGLL
SCHEMBL8975343 1.00 GRM2 (0.48) GRM2TSHRHSD17B10ALDH1A1MGLL
SCHEMBL9719633 1.00 GRM2 (0.48) GRM2TSHRHSD17B10ALDH1A1MGLL
SCHEMBL11290099 1.00 GRM2 (0.48) GRM2TSHRHSD17B10ALDH1A1MGLL
SCHEMBL9362811 1.00 GRM2 (0.48) GRM2TSHRHSD17B10ALDH1A1MGLL
SCHEMBL10865557 1.00 GRM2 (0.48) GRM2TSHRHSD17B10ALDH1A1MGLL
SCHEMBL1934965 0.99 GRM2 (0.46) GRM2TSHRHSD17B10ALDH1A1MGLL
SCHEMBL4650784 0.99 GRM2 (0.46) GRM2TSHRHSD17B10ALDH1A1MGLL
SCHEMBL12695240 0.96 TSHR (0.49) GRM2TSHRHSD17B10ALDH1A1MGLL
SCHEMBL9556130 0.95 GRM2 (0.45) GRM2TSHRHSD17B10ALDH1A1MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5172256-A Liquid crystal variable color density lens and eye protective devices incorporating the same LIQUID CRYSTAL OPTICS INSTITUTE, INC. 1992-12-15 US claimed
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
US-4985583-A Liquid Crystals MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-01-15 US disclosed
US-4751017-A LIQUID CRYSTALS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-06-14 US disclosed
US-4715984-A DIELECTRICS FOR ELECTROOPTICAL DISPLAY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1987-12-29 US disclosed
EP-0220254-A1 BENZONITRILES. MERCK PATENT GMBH (DE) 1987-05-06 EP disclosed
WO-1986006372-A1 BENZONITRILE MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1986-11-06 WO disclosed
EP-0154849-A2 Cyclohexane derivatives MERCK PATENT GmbH (DE) 1985-09-18 EP disclosed
US-4364838-A Liquid crystal mixtures HOFFMANN-LA ROCHE INC. (US) 1982-12-21 US disclosed
US-4335012-A LIQUID CRYSTALS TIMEX CORPORATION (US) 1982-06-15 US disclosed
US-4322439-A ω-[2-(N-Lower alkyl-benzamido)-phenyl]-alkanoic acids, their use, and medicaments containing them BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1982-03-30 US disclosed
US-4322354-A 5-Substituted-2-(4-cyanophenyl)-1,3,-dioxanes TIMEX CORPORATION (US) 1982-03-30 US disclosed
WO-1979000586-A1 W-(2-N-LOWER ALKYL-BENZAMIDO)-PHENYL)-ALKANOIC ACIDS,THEIR USE AND PREPARATION,AND MEDICAMENTS CONTAINING THEM BYK GULDEN LOMBERG CHEM FAB (DE) 1979-08-23 WO disclosed