SCHEMBL7861973

SCHEMBL7861973

C=CCCc1ccc(C#Cc2ccc([C@H]3CC[C@H](CCC)CC3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.47
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
SPHK1 Q9NYA1 12/20 0.39
SPHK2 Q9NRA0 7/20 0.35
ESR2 Q92731 1/20 0.35
ACACB O00763 1/20 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
SCHEMBL7861911 0.92 SPHK1 (0.45) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6142017 0.91 ESR2 (0.37) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6142073 0.90 SPHK1 (0.39) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6142116 0.90 SPHK1 (0.43) SPHK1SPHK2ACACB
SCHEMBL6141825 0.89 SPHK1 (0.39) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6452076 0.89 CYP2C9 (0.37) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6452072 0.89 CYP2C9 (0.37) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6142175 0.88 SPHK1 (0.46) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6142068 0.87 SPHK1 (0.51) CYP2C9SPHK1SPHK2
SCHEMBL6142274 0.87 SPHK1 (0.37) CYP2C9ALDH1A1LMNAMAPTMEN1

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
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