SCHEMBL6562936

SCHEMBL6562936

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.40
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 2/20 0.37
MAPT P10636 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2D6 P10635 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALOX5 P09917 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
NLRP3 Q96P20 1/20 0.36
GRM5 P41594 1/20 0.36
VCP P55072 1/20 0.35
ACACB O00763 1/20 0.35
HSD17B2 P37059 1/20 0.35

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 0.78 APP (0.41) FFAR1MAPTMEN1NPC1POLB
SCHEMBL7021794 0.75 FFAR1 (0.42) FFAR1NPSR1ALDH1A1CYP3A4MAPT
SCHEMBL6562911 0.73 HTR2A (0.40) FFAR1NPSR1CYP3A4CYP2C9CYP2C19
SCHEMBL704104 0.72 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP2D6HPGDALOX5
SCHEMBL6561429 0.69 NPSR1 (0.39) FFAR1NPSR1ALDH1A1CYP3A4MAPT
SCHEMBL6562618 0.69 HTT (0.42) FFAR1NPSR1CYP3A4CYP2C9CYP2C19
Diphenylacetylene SCHEMBL27967498 0.67 APP (0.52) FFAR1NPSR1ALDH1A1MAPTNPC1
SCHEMBL6564458 0.67 NPC1 (0.45) FFAR1NPSR1ALDH1A1CYP3A4MAPT
SCHEMBL1657802 0.67 APP (0.50) FFAR1NPSR1ALDH1A1CYP3A4MAPT
SCHEMBL1657799 0.67 APP (0.50) FFAR1NPSR1ALDH1A1CYP3A4MAPT

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