SCHEMBL4653175

SCHEMBL4653175

CCCCCC1CCC(c2c(-c3ccccc3)cccc2C2CCC(CCC)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
GAA P10253 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPK1 P28482 2/20 0.38
MAPT P10636 2/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP2C9 P11712 2/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL10882600 1.00 CHRNB2 (0.43) CHRNB2CHRNA4GAAMEN1KMT2A
SCHEMBL8416017 0.97 CHRNB2 (0.45) CHRNB2CHRNA4GAAMEN1KMT2A
SCHEMBL8416015 0.97 CHRNB2 (0.45) CHRNB2CHRNA4GAAMEN1KMT2A
SCHEMBL4650756 0.94 CHRNB2 (0.48) CHRNB2CHRNA4GAAMEN1KMT2A
SCHEMBL9639406 0.94 CHRNB2 (0.48) CHRNB2CHRNA4GAAMEN1KMT2A
SCHEMBL10532005 0.87 GAA (0.35) CHRNB2CHRNA4GAAMEN1KMT2A
SCHEMBL9174206 0.87 GAA (0.35) CHRNB2CHRNA4GAAMEN1KMT2A
SCHEMBL9751895 0.87 GAA (0.41) GAAMEN1KMT2AMAPK1MAPT
SCHEMBL262121 0.87 GAA (0.41) GAAMEN1KMT2AMAPK1MAPT
SCHEMBL29906122 0.87 GAA (0.41) GAAMEN1KMT2AMAPK1MAPT

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-1599562-B9 NEMATIC LIQUID CRYSTAL MIXTURES FOR BISTABLE DISPLAY DEVICES NEMOPTIC (FR) 2008-09-24 EP claimed
EP-1599562-B1 NEMATIC LIQUID CRYSTAL MIXTURES FOR BISTABLE DISPLAY DEVICES NEMOPTIC (FR) 2007-05-16 EP claimed