SCHEMBL6142175

SCHEMBL6142175

C=CCC[C@H]1CC[C@H](c2ccc(C#Cc3ccc(CCCC)cc3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.46
SPHK2 Q9NRA0 7/20 0.41
CYP2C9 P11712 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL6142088 0.97 SPHK1 (0.43) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL6142068 0.96 SPHK1 (0.51) SPHK1SPHK2CYP2C9
SCHEMBL6142073 0.93 SPHK1 (0.39) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL6141825 0.92 SPHK1 (0.39) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL6141688 0.89 SPHK1 (0.37) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL6142274 0.89 SPHK1 (0.37) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL7861911 0.89 SPHK1 (0.45) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL23635471 0.89 SPHK1 (0.49) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL6142017 0.89 ESR2 (0.37) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL7861973 0.88 CYP2C9 (0.47) SPHK1SPHK2CYP2C9ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0930286-B1 LIQUID-CRYSTAL ALKENYLTOLAN DERIVATIVE, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY ELEMENT CHISSO CORP (JP) 2005-01-12 EP disclosed
US-6333080-B1 HIGH ANISOTROPY, HIGH ELASTIC CONSTANT RATIO, EXCELLENT COMPARABILITY WITH OTHER LIQUID-CRYSTAL COMPOUNDS, AND LOW VISCOSITY AND ARE CHEMICALLY AND PHYSICALLY STABLE CHISSO CORPORATION (JP) 2001-12-25 US disclosed
EP-0930286-A1 LIQUID-CRYSTAL ALKENYLTOLAN DERIVATIVE, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1999-07-21 EP disclosed