SCHEMBL8043456

SCHEMBL8043456

CCCCCC1CCC(c2c(-c3ccccc3)cc(F)c(F)c2F)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPK1 P28482 2/20 0.35
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DPP4 P27487 1/20 0.32
OPRL1 P41146 4/20 0.31
HRH3 Q9Y5N1 1/20 0.31
SOAT1 P35610 1/20 0.31
GRM2 Q14416 1/20 0.31
NR5A2 O00482 1/20 0.31

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
SCHEMBL29934853 0.86 GAA (0.38) GAAMAPTMEN1KMT2AMAPK1
SCHEMBL9061898 0.86 GAA (0.38) GAAMAPTMEN1KMT2AMAPK1
SCHEMBL8931543 0.86 GAA (0.38) GAAMAPTMEN1KMT2AMAPK1
SCHEMBL28969466 0.82 GAA (0.41) GAAMAPTMEN1KMT2AMAPK1
Methane SCHEMBL8470981 0.81 GAA (0.31) GAAMAPTMEN1KMT2AMAPK1
SCHEMBL10613253 0.81 GAA (0.36) GAAMAPTMEN1KMT2AMAPK1
SCHEMBL8653174 0.80
SCHEMBL9351492 0.79 MEN1 (0.36) GAAMAPTMEN1KMT2ACYP1A2
SCHEMBL7783047 0.79 CYP3A4 (0.40) GAAMAPTMEN1KMT2AMAPK1
SCHEMBL7783048 0.79 CYP3A4 (0.40) GAAMAPTMEN1KMT2AMAPK1

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-0733692-B1 Liquid crystalline compound, liquid crystal composition containing the same, and display device CHISSO CORP (JP) 2000-06-14 EP disclosed
EP-0733692-A1 Liquid crystalline compound, liquid crystal composition containing the same, and display device Chisso Corporation (JP) 1996-09-25 EP disclosed