SCHEMBL6562911

SCHEMBL6562911

CCO[SiH](OCC)C(C)C#Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.40
APP P05067 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
FFAR1 O14842 1/20 0.35
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
THPO P40225 1/20 0.33
LMNA P02545 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
GAA P10253 1/20 0.33
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32

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
SCHEMBL6564082 0.80 APP (0.41) HTR2AAPPSIGMAR1FFAR1KMT2A
SCHEMBL6562936 0.73 FFAR1 (0.40) HTR2AAPPNPSR1FFAR1CYP3A4
SCHEMBL3901448 0.71 APP (0.42) HTR2AAPPSIGMAR1NPSR1CYP1A2
SCHEMBL115878 0.70 TAAR1 (0.40) HTR2ALMNAKMT2A
SCHEMBL3031415 0.68 APP (0.55) HTR2AAPPSIGMAR1NPSR1FFAR1
SCHEMBL6564371 0.68 NPSR1 (0.44) HTR2AAPPSIGMAR1NPSR1CYP1A2
SCHEMBL27702933 0.67 APP (0.48) HTR2AAPPSIGMAR1NPSR1FFAR1
SCHEMBL4857602 0.67 HTR2A (0.44) HTR2AAPPSIGMAR1NPSR1FFAR1
SCHEMBL27702939 0.67 HTR2A (0.44) HTR2AAPPSIGMAR1NPSR1FFAR1
SCHEMBL6561437 0.67 APP (0.38) HTR2AAPPSIGMAR1NPSR1FFAR1

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-1122746-B1 Composition for film formation and insulating film JSR CORP (JP) 2004-09-22 EP disclosed
US-6468589-B2 A HEAT-CURED POLYETHER BASED ON A 9,9-BIS(P-HYDROXYPHENYL)-FLUORENE HAVING AT LEAST ONE ALKYL SUBSTITUENT AND A DIHYDROXY AROMATIC COMONOMER; LOW DIELECTRIC PROTECTIVE COATINGS; HEAT RESISTANCE; NONCRACKING JSR CORPORATION (JP) 2002-10-22 US disclosed
US-20010012870-A1 Composition for film formation and insulating film JSR CORPORATION (JP) 2001-08-09 US disclosed
EP-1122746-A1 Composition for film formation and insulating film JSR Corporation (JP) 2001-08-08 EP disclosed