SCHEMBL8470916

SCHEMBL8470916

O=C(O)C[SiH2]C(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 2/20 0.42
GABBR2 O75899 1/20 0.42
GABBR1 Q9UBS5 1/20 0.42
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
FFAR1 O14842 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
AKR1B1 P15121 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38

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
SCHEMBL6037681 0.76 TSHR (0.47) CYP2D6CYP2C19LMNA
SCHEMBL7935090 0.75 LMNA (0.39) SRCCYP2D6LMNAMAPK1L3MBTL1
SCHEMBL1270652 0.74 TAAR1 (0.42) CYP2D6LMNAL3MBTL1
SCHEMBL6914191 0.72 ALDH1A1 (0.46) SRCCYP2D6LMNAMAPK1
SCHEMBL3454935 0.71 TRPA1 (0.38) SRCCYP2D6LMNAMAPK1TDP1
SCHEMBL2118480 0.70 TAAR1 (0.39) CYP2D6LMNAL3MBTL1
SCHEMBL9339406 0.70 TAAR1 (0.50) CYP2D6CYP2C19SLC6A3
SCHEMBL1645203 0.70 TSHR (0.42) CYP2D6LMNAL3MBTL1
SCHEMBL4660217 0.68 ALDH1A1 (0.40) SRCCYP2D6LMNATDP1L3MBTL1
3,3-Diphenylpropanoic Acid SCHEMBL5283373 0.67 GABBR2 (0.59) SRCCYP2D6CYP2C19GABBR2GABBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5919552-A Coated substrates and methods XEROX CORPORATION (US) 1999-07-06 US claimed
US-5919552-A Coated substrates and methods XEROX CORPORATION (US) 1999-07-06 US disclosed