SCHEMBL4442954

SCHEMBL4442954

c1ccc(O[Si]c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.46
LTA4H P09960 3/20 0.43
TSHR P16473 1/20 0.43
KCNA3 P22001 1/20 0.36
CA5A P35218 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
MAOB P27338 1/20 0.33
NR1H2 P55055 1/20 0.33
BAX Q07812 1/20 0.33
MAOA P21397 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
ACHE P22303 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RECQL P46063 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL3807146 0.73 CA4 (0.53) CA4LTA4HTSHRKCNA3CA5A
Hydrochloric Acid SCHEMBL9709378 0.71 CA4 (0.50) CA4LTA4HTSHRKCNA3CA5A
SCHEMBL8128265 0.71 CA4 (0.50) CA4LTA4HTSHRKCNA3CA5A
SCHEMBL29698521 0.69
SCHEMBL5865577 0.69
Hydrochloric Acid SCHEMBL9709765 0.67 CA4 (0.53) CA4LTA4HTSHRKCNA3CA5A
Anisole SCHEMBL7554435 0.65 CA4 (0.88) CA4LTA4HTSHRACHECYP1A2
Diphenylether SCHEMBL8157951 0.63 LTA4H (0.86) CA4LTA4HTSHRMAOBNR1H2
Anisole SCHEMBL10721106 0.63 CA4 (1.00) CA4LTA4HTSHRACHECYP1A2
Anisole SCHEMBL20328417 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637627-B2 Phenoxyphenyl polysiloxane composition and method for making and using same ROHM AND HAAS COMPANY (US) 2014-01-28 US claimed
US-20090146324-A1 Phenoxyphenyl polysiloxane composition and method for making and using same ROHM AND HAAS COMPANY (US) 2009-06-11 US claimed
US-8637627-B2 Phenoxyphenyl polysiloxane composition and method for making and using same ROHM AND HAAS COMPANY (US) 2014-01-28 US disclosed
US-8637627-B2 Phenoxyphenyl polysiloxane composition and method for making and using same ROHM AND HAAS COMPANY (US) 2014-01-28 US disclosed
US-20090146324-A1 Phenoxyphenyl polysiloxane composition and method for making and using same ROHM AND HAAS COMPANY (US) 2009-06-11 US disclosed
US-20090146324-A1 Phenoxyphenyl polysiloxane composition and method for making and using same ROHM AND HAAS COMPANY (US) 2009-06-11 US disclosed