SCHEMBL8021886

SCHEMBL8021886

CCCCCCC(F)COc1ccc([C@H]2CC[C@H](CCCCC)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.39
SPHK1 Q9NYA1 6/20 0.39
CYP2C9 P11712 2/20 0.38
S1PR3 Q99500 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.36
SLC2A1 P11166 1/20 0.36
SPHK2 Q9NRA0 2/20 0.34

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
SCHEMBL5848115 0.96 RAB9A (0.37) RAB9ASPHK1CYP2C9S1PR3HRH3
SCHEMBL11058858 0.89 RAB9A (0.39) RAB9ASPHK1CYP2C9S1PR3HRH3
SCHEMBL9417019 0.89 LMNA (0.43) RAB9ACYP2C9MAPTALDH1A1LMNA
SCHEMBL11063421 0.88 RAB9A (0.40) RAB9ASPHK1CYP2C9S1PR3HRH3
SCHEMBL11277030 0.85 GPR88 (0.38) RAB9ASPHK1CYP2C9S1PR3HRH3
SCHEMBL11275973 0.85 GPR88 (0.38) RAB9ASPHK1CYP2C9S1PR3HRH3
SCHEMBL11270589 0.85 GPR88 (0.38) RAB9ASPHK1CYP2C9S1PR3HRH3
SCHEMBL11287853 0.85 GPR88 (0.38) RAB9ASPHK1CYP2C9S1PR3HRH3
SCHEMBL11286172 0.85 GPR88 (0.38) RAB9ASPHK1CYP2C9S1PR3HRH3
SCHEMBL11062294 0.84 RAB9A (0.41) RAB9ASPHK1CYP2C9HRH3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6146547-A USEFUL AS COMPONENT OF FERROELECTRIC LIQUID CRYSTAL FORMULATIONS CHISSO CORPORATION (JP) 2000-11-14 US disclosed
EP-0278665-B1 2-Substituted-alkyl ether and liquid crystal composition CHISSO CORP (JP) 1994-09-21 EP disclosed
US-5120468-A Optical active mixture exhibiting ferroelectricity CHISSO CORPORATION (JP) 1992-06-09 US disclosed
EP-0278665-A2 2-Substituted-alkyl ether and liquid crystal composition Chisso Corporation (JP) 1988-08-17 EP disclosed