SCHEMBL6562783

SCHEMBL6562783

CCCCO[Si](C#Cc1ccccc1)(OCCCC)OCCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.44
CYP1A2 P05177 4/20 0.40
CYP2C9 P11712 4/20 0.40
CYP2C19 P33261 4/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CYP2D6 P10635 4/20 0.38
CYP19A1 P11511 2/20 0.38
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 1/20 0.37
NOS1 P29475 1/20 0.37
APP P05067 1/20 0.37
CYP3A4 P08684 4/20 0.36
NPC1 O15118 2/20 0.36

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
SCHEMBL6564478 0.89 APP (0.39) LTA4HCYP1A2CYP2C9CYP2C19CHRNB2
SCHEMBL6562702 0.88 LTA4H (0.46) LTA4HCYP1A2CYP2C9CYP2C19CHRNB2
SCHEMBL6562553 0.86 LTA4H (0.44) LTA4HCYP1A2CYP2C9CYP2C19CHRNB2
SCHEMBL6562820 0.82 APP (0.42) LTA4HCYP1A2CYP2C9CYP2C19CHRNB2
SCHEMBL6561472 0.81 APP (0.38) CYP1A2CYP2C9CYP2C19CHRNB2CHRNB4
SCHEMBL6564403 0.77 APP (0.41) LTA4HCYP1A2CYP2C9CYP2C19CHRNB2
SCHEMBL6564378 0.75 APP (0.39) LTA4HCYP1A2CYP2C9CYP2C19CHRNB2
SCHEMBL6562433 0.75 APP (0.39) LTA4HCYP1A2CYP2C9CYP2C19CHRNB2
SCHEMBL20658188 0.74 ADRB2 (0.39) CYP1A2CYP2C9CYP2C19TSHRCYP2D6
SCHEMBL28942149 0.74 LTA4H (0.66) LTA4HCYP1A2CYP2C9CYP2C19CHRNB2

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