SCHEMBL14129355

SCHEMBL14129355

COc1cc(COCCCC[Si](OC)(OC)OC)c([N+](=O)[O-])cc1CCC[Rf]

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.34
CYP2D6 P10635 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR2A P28223 1/20 0.32
CHEK1 O14757 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAP2K1 Q02750 1/20 0.32
CTSD P07339 1/20 0.32
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31

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 0.95 ALDH1A1 (0.34) ALDH1A1CYP2D6L3MBTL1CYP1A2CYP3A4
SCHEMBL14129372 0.90 ALDH1A1 (0.36) ALDH1A1CYP2D6L3MBTL1CYP1A2CYP3A4
SCHEMBL3121371 0.85 ALDH1A1 (0.43) ALDH1A1CYP2D6L3MBTL1CYP1A2CYP3A4
SCHEMBL3115407 0.85 ALDH1A1 (0.43) ALDH1A1CYP2D6L3MBTL1CYP1A2CYP3A4
SCHEMBL14129488 0.84 ALDH1A1 (0.36) ALDH1A1CYP2D6L3MBTL1CYP1A2CYP3A4
SCHEMBL14129534 0.84 ALDH1A1 (0.39) ALDH1A1CYP2D6L3MBTL1CYP1A2CYP3A4
SCHEMBL14129486 0.84 ALDH1A1 (0.39) ALDH1A1CYP2D6L3MBTL1CYP1A2CYP3A4
SCHEMBL14129346 0.83 ALDH1A1 (0.38) ALDH1A1CYP2D6L3MBTL1CYP1A2CYP3A4
SCHEMBL3123758 0.83 ALDH1A1 (0.45) ALDH1A1CYP2D6L3MBTL1CYP1A2CYP3A4
SCHEMBL14129621 0.82 LMNA (0.36) ALDH1A1CYP2D6L3MBTL1CYP1A2CYP3A4

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