SCHEMBL8453248

SCHEMBL8453248

CCCCCC1CCC(c2ccccc2-c2cc(F)c(F)c(F)c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.37
MAPT P10636 2/20 0.37
CHRM3 P20309 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPK1 P28482 2/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
OPRL1 P41146 3/20 0.34
BCHE P06276 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL8453242 1.00 GAA (0.37) GAAMAPTCHRM3CHRM2CHRM1
SCHEMBL9061916 0.89 GAA (0.37) GAAMAPTCHRM3MEN1KMT2A
SCHEMBL8961293 0.89 GAA (0.37) GAAMAPTCHRM3MEN1KMT2A
SCHEMBL17356592 0.86 GAA (0.37) GAAMAPTMEN1KMT2AMAPK1
SCHEMBL9751895 0.85 GAA (0.41) GAAMAPTMEN1KMT2AMAPK1
SCHEMBL29906122 0.85 GAA (0.41) GAAMAPTMEN1KMT2AMAPK1
SCHEMBL262121 0.85 GAA (0.41) GAAMAPTMEN1KMT2AMAPK1
SCHEMBL17356666 0.85 GAA (0.38) GAAMAPTMEN1KMT2AMAPK1
SCHEMBL8385716 0.85 GAA (0.33) GAAMAPTMEN1KMT2AMAPK1
SCHEMBL8416013 0.85 BCHE (0.44) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0679707-B1 Liquid crystalline compound, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 1999-06-16 EP disclosed
US-5720899-A Liquid crystalline compound, liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1998-02-24 US disclosed
US-5653911-A Liquid crystalline compound liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1997-08-05 US disclosed
EP-0679707-A1 Liquid crystalline compound, liquid crystal composition and liquid crystal display element Chisso Corporation (JP) 1995-11-02 EP disclosed