SCHEMBL92391

SCHEMBL92391

CCCC[Si](C)(C)O[Si](C)(C)CCCNC(=O)F

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.39
EPHX1 P07099 7/20 0.39
ALDH1A1 P00352 1/20 0.35
CASP2 P42575 1/20 0.35
MMP2 P08253 1/20 0.35
NAAA Q02083 1/20 0.35
FAAH O00519 1/20 0.34

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
SCHEMBL12905925 0.81
SCHEMBL14984057 0.79 EPHX1 (0.68) EPHX1CASP2
SCHEMBL18176149 0.78 ZDHHC20 (0.62) ACHEEPHX1ALDH1A1
SCHEMBL12860855 0.78
SCHEMBL5707554 0.76
SCHEMBL11200 0.76 TSHR (0.35)
SCHEMBL14408045 0.75 EPHX1 (0.46) EPHX1
SCHEMBL18227261 0.75 KDM4E (0.56) ALDH1A1
SCHEMBL17333339 0.74 EPHX1 (0.67) EPHX1CASP2NAAAFAAH
SCHEMBL20470950 0.74 EPHX1 (0.67) EPHX1CASP2NAAAFAAH

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-8129435-B2 Perfluoropolyether-modified polysiloxane, a method for preparing the same and a defoaming agent comprising the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-03-06 US disclosed