SCHEMBL6562841

SCHEMBL6562841

CCO[SiH](OCC)c1ccccc1C#Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
HPGD P15428 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HSD17B10 Q99714 2/20 0.42
APP P05067 1/20 0.40
RAB9A P51151 2/20 0.37
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
FFAR1 O14842 8/20 0.36
CHRNB2 P17787 1/20 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
SCHEMBL28724801 0.83
SCHEMBL6564250 0.81 ALDH1A1 (0.46) NPC1ALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL6564384 0.77
SCHEMBL2961096 0.75 ALDH1A1 (0.33) ALDH1A1NPSR1
SCHEMBL28666492 0.74 NPC1 (0.50) NPC1ALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL6564458 0.74 NPC1 (0.45) NPC1ALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL9355648 0.70 MAPT (0.50) NPC1ALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL2173736 0.69 MAPT (0.42) NPC1ALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL103756 0.69 TSHR (0.38) ALDH1A1MAPTCYP3A4CA2CA9
SCHEMBL5871989 0.69 APP (0.75) NPC1ALDH1A1MAPTCYP1A2CYP3A4

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