SCHEMBL7699482

SCHEMBL7699482

CC(C)(C)[Si](O)(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.39
ALDH1A1 P00352 3/20 0.37
ALOX15 P16050 1/20 0.37
LTA4H P09960 3/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
ATM Q13315 1/20 0.35
MAPK1 P28482 1/20 0.34
CA5A P35218 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
LMNA P02545 2/20 0.33
RIPK1 Q13546 1/20 0.33
NR1H2 P55055 1/20 0.33
BAX Q07812 1/20 0.33
CYP2D6 P10635 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
PAX8 Q06710 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
SCHEMBL18417859 0.82 CA4 (0.39) CA4ALDH1A1ALOX15LTA4HTSHR
SCHEMBL18417888 0.80 ALDH1A1 (0.40) CA4ALDH1A1ALOX15LTA4HTSHR
SCHEMBL429409 0.78 CA4 (0.43) CA4ALDH1A1ALOX15LTA4HTSHR
SCHEMBL706748 0.76 CA4 (0.42) CA4ALDH1A1ALOX15LTA4HTSHR
SCHEMBL426731 0.76 CA4 (0.42) CA4ALDH1A1ALOX15LTA4HTSHR
SCHEMBL2368966 0.74 PREP (0.45) CA4ALDH1A1ALOX15LTA4HTSHR
SCHEMBL7697854 0.73 CA4 (0.43) CA4ALDH1A1ALOX15LTA4HTSHR
SCHEMBL7692898 0.73 CA4 (0.43) CA4ALDH1A1ALOX15LTA4HTSHR
SCHEMBL19816777 0.73 CA4 (0.44) CA4ALDH1A1ALOX15LTA4HTSHR
SCHEMBL1217901 0.72 LTA4H (0.45) CA4ALDH1A1ALOX15LTA4HTSHR

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-6344579-B1 REACTION OF FLUOROSILICON COMPOUND WITH REACTION OF SILICON WITH HYDROXY, ALKOXY OR ARYLOXY GROUP WITH DIFLUORODIAMINO COMPOUND MITSUI CHEMICALS, INC. (JP) 2002-02-05 US disclosed
EP-1138633-A1 PROCESS FOR PRODUCING FLUORINATED SILICON COMPOUND Mitsui Chemicals, Inc. (JP) 2001-10-04 EP disclosed