SCHEMBL7861911

SCHEMBL7861911

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

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.45
SPHK2 Q9NRA0 7/20 0.40
CYP2C9 P11712 1/20 0.39
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL7861973 0.92 CYP2C9 (0.47) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL6142068 0.91 SPHK1 (0.51) SPHK1SPHK2CYP2C9
SCHEMBL6142175 0.89 SPHK1 (0.46) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL6453088 0.89 SPHK1 (0.38) SPHK1SPHK2CYP2C9
SCHEMBL6453083 0.89 SPHK1 (0.38) SPHK1SPHK2CYP2C9
SCHEMBL6464679 0.88 SPHK1 (0.40) SPHK1SPHK2
SCHEMBL6459445 0.88 SPHK1 (0.40) SPHK1SPHK2
SCHEMBL6459441 0.88 SPHK1 (0.40) SPHK1SPHK2
SCHEMBL6464681 0.88 SPHK1 (0.40) SPHK1SPHK2
SCHEMBL6142017 0.88 ESR2 (0.37) SPHK1CYP2C9ALDH1A1LMNAMAPT

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