SCHEMBL6329936

SCHEMBL6329936

C=Cc1ccc(O[SiH2]C(C)(C)C(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A3 P47895 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL16536866 0.77 ALDH1A1 (0.39) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL8693732 0.77 TDP1 (0.43) ALDH1A1CYP3A4MAPTTSHR
SCHEMBL7719268 0.76 RIPK1 (0.38) ALDH1A1ALOX15TSHR
SCHEMBL7447002 0.75
SCHEMBL8946202 0.74 HRH3 (0.35) CYP3A4
SCHEMBL16537134 0.73 CHRNB2 (0.40) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL8825019 0.73 CHRNB2 (0.40) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL7719269 0.73
SCHEMBL8759242 0.73 ALDH1A1 (0.42) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL5888379 0.71 ALDH1A1 (0.44) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7

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-6889735-B2 Pneumatic tire having a rubber component containing a dendrimer THE GOODYEAR TIRE & RUBBER COMPANY (US) 2005-05-10 US disclosed
US-20040020576-A1 Pneumatic tire having a rubber component containing a dendrimer THE GOODYEAR TIRE & RUBBER COMPANY 2004-02-05 US disclosed
US-20020068796-A1 Pneumatic tire having a rubber component containing a dendrimer FRANK UWE ERNST (DE) 2002-06-06 US disclosed
EP-1177919-A2 A pneumatic tire having a rubber component containing a dendrimer THE GOODYEAR TIRE & RUBBER COMPANY (US) 2002-02-06 EP disclosed
US-5276110-A Highly regular multi-arm star polymers NATIONAL RESEARCH COUNCIL OF CANADA (CA) 1994-01-04 US disclosed