SCHEMBL8975343

SCHEMBL8975343

CCCCCCCCC1COC(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
SCHEMBL9719633 1.00 GRM2 (0.48) GRM2TSHRHSD17B10ALDH1A1MGLL
SCHEMBL5348257 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0559088-B1 Dioxane type liquid crystal substance MITSUBISHI GAS CHEMICAL CO (JP) 1996-05-15 EP disclosed
EP-0545355-B1 Liquid crystal compounds and liquid crystal display devices MITSUBISHI GAS CHEMICAL CO (JP) 1996-03-20 EP disclosed
US-5482651-A ANTIFERROELECTRIC MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1996-01-09 US disclosed
US-5275757-A Liquid crystal compounds and liquid crystal display devices MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1994-01-04 US disclosed
EP-0559088-A1 Dioxane type liquid crystal substance MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1993-09-08 EP disclosed
EP-0545355-A1 Liquid crystal compounds and liquid crystal display devices MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1993-06-09 EP disclosed
US-4335012-A LIQUID CRYSTALS TIMEX CORPORATION (US) 1982-06-15 US disclosed
US-4322354-A 5-Substituted-2-(4-cyanophenyl)-1,3,-dioxanes TIMEX CORPORATION (US) 1982-03-30 US disclosed