SCHEMBL8517346

SCHEMBL8517346

O=C1CCC(CCC2CCC3(CC2)OCCO3)CC1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.38
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL14129084 0.93 GPR119 (0.41) GPR119ALDH1A1KMT2A
SCHEMBL742157 0.89 GPR119 (0.33) GPR119ALDH1A1KMT2A
SCHEMBL8447682 0.79
SCHEMBL422994 0.79 ALDH1A1 (0.33) ALDH1A1KMT2A
SCHEMBL19339358 0.77 ALDH1A1 (0.33) ALDH1A1KMT2A
SCHEMBL7639721 0.77 TRIM24 (0.37) ALDH1A1
SCHEMBL14175488 0.75 ALDH1A1 (0.30) ALDH1A1KMT2A
SCHEMBL4763285 0.74
SCHEMBL26641764 0.73 GPR119 (0.34) GPR119
SCHEMBL19884668 0.73 ALDH1A1 (0.33) ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1452514-B1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK & CHEMICALS (JP) 2010-03-31 EP disclosed
EP-1273562-B1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK & CHEMICALS (JP) 2009-07-22 EP disclosed
EP-0475273-B1 Liquid crystal mixture containing halogenated alcenyl compounds MERCK PATENT GMBH (DE) 1999-04-07 EP disclosed
US-5292452-A Electrooptical devices; high dielectric anisotropy, low rotation viscosity, short response time HOFFMANN-LA ROCHE INC. (US) 1994-03-08 US disclosed
EP-0475273-A1 Halogenated alcenyl compounds F. HOFFMANN-LA ROCHE AG (CH) 1992-03-18 EP disclosed