SCHEMBL6562618

SCHEMBL6562618

CC(=O)O[SiH](CC#Cc1ccccc1)OC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
GAA P10253 1/20 0.40
FFAR1 O14842 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
THPO P40225 1/20 0.40
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HTR2A P28223 1/20 0.39
GRIK1 P39086 1/20 0.38
GRIK2 Q13002 1/20 0.38
PAM P19021 1/20 0.38

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
SCHEMBL6564356 0.77 CYP1A2 (0.47) HTTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL27545848 0.74 ALDH1A1 (0.48) HTTGAAFFAR1CYP1A2CYP3A4
SCHEMBL6564371 0.74 NPSR1 (0.44) HTTGAACYP1A2CYP3A4CYP2C9
SCHEMBL7055462 0.71 ALDH1A1 (0.46) HTTGAAFFAR1CYP1A2CYP3A4
SCHEMBL11803645 0.71 CYP1A2 (0.48) HTTGAAFFAR1CYP1A2CYP3A4
SCHEMBL15945106 0.70 CYP1A2 (0.52) HTTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL150539 0.69 ALDH1A1 (0.52) FFAR1KMT2A
SCHEMBL6562936 0.69 FFAR1 (0.40) FFAR1CYP3A4CYP2C9CYP2C19KMT2A
Diphenylacetylene SCHEMBL27967498 0.69 APP (0.52) HTTFFAR1NPSR1PAM
SCHEMBL14582254 0.68 FFAR1 (0.50) HTTFFAR1CYP1A2CYP3A4CYP2C9

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