SCHEMBL8453071

SCHEMBL8453071

CCCCC[C@H]1CC[C@H](CCc2ccc(OCC)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.46
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ITGB3 P05106 2/20 0.43
ITGA2B P08514 2/20 0.43
NQO1 P15559 1/20 0.42
NPC1 O15118 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
NLRP3 Q96P20 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40

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
SCHEMBL7511669 1.00 RAB9A (0.46) RAB9AMAPTL3MBTL1ITGB3ITGA2B
SCHEMBL10902883 0.98 RAB9A (0.45) RAB9AMAPTL3MBTL1ITGB3ITGA2B
SCHEMBL10479786 0.98 RAB9A (0.45) RAB9AMAPTL3MBTL1ITGB3ITGA2B
SCHEMBL10902889 0.98 RAB9A (0.45) RAB9AMAPTL3MBTL1ITGB3ITGA2B
SCHEMBL10479790 0.98 RAB9A (0.45) RAB9AMAPTL3MBTL1ITGB3ITGA2B
SCHEMBL16215340 0.96 RAB9A (0.43) RAB9AMAPTL3MBTL1ITGB3ITGA2B
SCHEMBL11058018 0.96 RAB9A (0.49) RAB9AMAPTL3MBTL1ITGB3ITGA2B
SCHEMBL11058014 0.96 RAB9A (0.49) RAB9AMAPTL3MBTL1ITGB3ITGA2B
SCHEMBL10715753 0.96 RAB9A (0.43) RAB9AMAPTL3MBTL1ITGB3ITGA2B
SCHEMBL11064221 0.95 NQO1 (0.44) RAB9AMAPTL3MBTL1ITGB3ITGA2B

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4783280-A Liquid crystal mixture HOFFMANN-LA ROCHE INC. (US) 1988-11-08 US claimed
US-4583826-A Phenylethanes HOFFMANN-LA ROCHE INC. (US) 1986-04-22 US claimed
US-5980778-A STABILITY, COMPATIBILITY SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-11-09 US disclosed
EP-0768361-A1 Liquid crystal composition and liquid crystal display element comprising the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 1997-04-16 EP disclosed
US-5518653-A LIQUID CRYSTAL HOFFMANN-LA ROCHE INC. (US) 1996-05-21 US disclosed
EP-0450025-B1 TEMPERATURE COMPENSATION OF LIQUID-CRYSTAL PARAMETERS HOFFMANN LA ROCHE (CH) 1995-01-18 EP disclosed
US-5309265-A Short pitch LC layer with a temperature independent λ0 and containing a nematic LC doped with plural chiral additives having the same twist sense HOFFMANN-LA ROCHE INC. (US) 1994-05-03 US disclosed
EP-0450025-A1 TEMPERATURE COMPENSATION OF LIQUID-CRYSTAL PARAMETERS. HOFFMANN LA ROCHE (CH) 1991-10-09 EP disclosed
WO-1991006613-A1 TEMPERATURE COMPENSATION OF LIQUID-CRYSTAL PARAMETERS F.HOFFMANN-LA ROCHE AG (CH) 1991-05-16 WO disclosed
US-5013477-A Alkenylbicyclohexane liquid crystals HOFFMANN-LA ROCHE INC. (US) 1991-05-07 US disclosed
US-4783280-A Liquid crystal mixture HOFFMANN-LA ROCHE INC. (US) 1988-11-08 US disclosed
EP-0107116-B1 DICYANOBENZENES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1986-08-27 EP disclosed
EP-0103681-B1 TETRA- AND PENTACYCLIC MONOESTERS F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1986-07-30 EP disclosed
US-4583826-A Phenylethanes HOFFMANN-LA ROCHE INC. (US) 1986-04-22 US disclosed
EP-0058512-B1 LIQUID CRYSTAL COMPOUNDS EXHIBITING A SMALL DIELECTRIC ANISOTROPY AND LIQUID CRYSTAL MATERIALS AND DEVICES INCORPORATING SUCH COMPOUNDS The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and (GB) 1986-01-15 EP disclosed
US-4556745-A BICYCOL(2.2.2) OCATANE RING THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1985-12-03 US disclosed
US-4460770-A Liquid crystal mixture HOFFMANN-LA ROCHE INC. (US) 1984-07-17 US disclosed
EP-0110205-A2 Coloured liquid crystal mixtures containing phenyl ethanes F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-06-13 EP disclosed
US-4439015-A Disubstituted ethanes HOFFMANN-LA ROCHE INC. (US) 1984-03-27 US disclosed
EP-0058512-A1 Liquid crystal compounds exhibiting a small dielectric anisotropy and liquid crystal materials and devices incorporating such compounds The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and (GB) 1982-08-25 EP disclosed