SCHEMBL4954449

SCHEMBL4954449

CC(C)(C)C#Cc1ccc(C#CC(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.47
HAO1 Q9UJM8 1/20 0.40
PTGES2 Q9H7Z7 5/20 0.37
APP P05067 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
RARB P10826 1/20 0.35
RARG P13631 1/20 0.35
CYP2D6 P10635 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
DRD5 P21918 1/20 0.35
P2RY6 Q15077 1/20 0.35
ASIC3 Q9UHC3 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP1B1 Q16678 1/20 0.33

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
SCHEMBL9694697 0.89 GRM5 (0.45) HRH3HAO1PTGES2MAPTKMT2A
SCHEMBL507497 0.87 KIF11 (0.48) HRH3
SCHEMBL20717544 0.87 APP (0.59) HRH3HAO1PTGES2APPMAPT
SCHEMBL4379793 0.87 APP (0.48) HRH3HAO1APPMAPTKMT2A
SCHEMBL6744783 0.87 HRH3 (0.41) HRH3HAO1PTGES2MAPTKMT2A
SCHEMBL24722261 0.87 HRH3 (0.41) HRH3HAO1PTGES2APPMAPT
SCHEMBL13597759 0.87 HRH3 (0.41) HRH3HAO1PTGES2APPDRD5
SCHEMBL22881118 0.87 HRH3 (0.41) HRH3HAO1PTGES2MAPTKMT2A
SCHEMBL13597750 0.87 KCNH2 (0.44) HRH3HAO1PTGES2MAPTKMT2A
SCHEMBL562815 0.86 APP (0.55) HRH3PTGES2APPMAPTKMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7439315-B2 Polymer film and method for producing the same NEC CORPORATION (JP) 2008-10-21 US disclosed
US-20060052560-A1 Polymer film and method for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-03-09 US disclosed
US-6884571-B2 Intermediate layer composition for three-layer resist process and pattern formation method using the same FUJI PHOTO FILM CO., LTD (JP) 2005-04-26 US disclosed
US-20050059788-A1 Supplying raw material gas containing acetylenic compound in chamber under low pressure; activation of gas in plasma generated reaction chamber, depositing on surface of semiconductor; addition polymerization; high mechanical strength SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-03-17 US disclosed
US-20030207208-A1 Intermediate layer composition for three-layer resist process and pattern formation method using the same FUJI PHOTO FILM CO., LTD. 2003-11-06 US disclosed