SCHEMBL14129372

SCHEMBL14129372

COc1cc(COCCCC[Si](OC)(OC)OC)c([N+](=O)[O-])cc1C[Rf]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.36
CYP2D6 P10635 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
CYP3A4 P08684 3/20 0.33
CYP2C19 P33261 2/20 0.33
CYP1A2 P05177 1/20 0.33
MAP2K1 Q02750 1/20 0.33
MAPT P10636 4/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 2/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TTR P02766 1/20 0.32
ALOX15 P16050 1/20 0.32
PRKDC P78527 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
SCHEMBL14129526 0.91 ALDH1A1 (0.34) ALDH1A1CYP2D6L3MBTL1SMN1; SMN2NPC1
SCHEMBL14129355 0.90 ALDH1A1 (0.34) ALDH1A1CYP2D6L3MBTL1SMN1; SMN2NPC1
SCHEMBL3115407 0.88 ALDH1A1 (0.43) ALDH1A1CYP2D6L3MBTL1SMN1; SMN2NPC1
SCHEMBL3121371 0.88 ALDH1A1 (0.43) ALDH1A1CYP2D6L3MBTL1SMN1; SMN2NPC1
SCHEMBL14129488 0.87 ALDH1A1 (0.36) ALDH1A1CYP2D6L3MBTL1SMN1; SMN2NPC1
SCHEMBL14129534 0.87 ALDH1A1 (0.39) ALDH1A1CYP2D6L3MBTL1SMN1; SMN2NPC1
SCHEMBL14129486 0.87 ALDH1A1 (0.39) ALDH1A1CYP2D6L3MBTL1SMN1; SMN2NPC1
SCHEMBL14129346 0.86 ALDH1A1 (0.38) ALDH1A1CYP2D6L3MBTL1SMN1; SMN2NPC1
SCHEMBL3123758 0.86 ALDH1A1 (0.45) ALDH1A1CYP2D6L3MBTL1SMN1; SMN2NPC1
SCHEMBL14129525 0.85 IDO1 (0.35) ALDH1A1CYP2D6L3MBTL1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7393515-B2 Fluorinated compound, water repellent composition and thin film ASAHI GLASS COMPANY, LIMITED (JP) 2008-07-01 US disclosed