SCHEMBL7723324

SCHEMBL7723324

CCCCC[C@H]1CC[C@H](c2ccc(C)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.49
MAPT P10636 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
SPHK1 Q9NYA1 10/20 0.46
ESR2 Q92731 2/20 0.45
GAA P10253 1/20 0.42
SPHK2 Q9NRA0 6/20 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
SCHEMBL7723326 1.00 CYP2C9 (0.49) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL10608297 0.98 SPHK1 (0.49) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL10760215 0.95 CYP2C9 (0.46) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL10731751 0.95 CYP2C9 (0.46) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL10760219 0.95 CYP2C9 (0.46) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL10760223 0.95 CYP2C9 (0.46) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL10731760 0.95 CYP2C9 (0.46) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL11456274 0.95 CYP2C9 (0.50) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL11457475 0.95 CYP2C9 (0.50) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL10610461 0.95 CYP2C9 (0.50) CYP2C9MAPTMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0916639-B1 LIQUID CRYSTAL COMPOUNDS, LIQUID CRYSTAL COMPOSITIONS CONTAINING THE COMPOUNDS, AND LIQUID CRYSTAL DISPLAY DEVICES MADE BY USING THE COMPOSITIONS CHISSO CORP (JP) 2002-06-12 EP disclosed
EP-1043299-A2 Liquid crystalline compound, liquid crystal composition comprising the liquid crystalline compound, and liquid crystal display device using the liquid crystal composition CHISSO CORPORATION (JP) 2000-10-11 EP disclosed