SCHEMBL5589926

SCHEMBL5589926

COC(CO)CC(=O)N(C)C

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA4 P43681 1/20 0.31
PRKCA P17252 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
SCHEMBL5265930 0.85 CNR1 (0.32) ALDH1A1CHRNB2CHRNB4CHRNA4
SCHEMBL12237505 0.83 ALDH1A1 (0.37) ALDH1A1CHRNB2CHRNB4CHRNA4
SCHEMBL4401598 0.83 ALDH1A1 (0.32) ALDH1A1CHRNB2CHRNB4CHRNA4
SCHEMBL1772274 0.75
SCHEMBL2640092 0.75
SCHEMBL15641771 0.73 MMP12 (0.42) CYP2C9TSHRPRKCA
SCHEMBL10266100 0.73 CHRNB2 (0.38) ALDH1A1CHRNB2CHRNB4CHRNA4
Bicarbonate SCHEMBL29012525 0.71 TSHR (0.39) CYP2C9TSHRPRKCA
SCHEMBL14003311 0.70 ALDH1A1 (0.38) ALDH1A1CHRNB2CHRNB4CHRNA4
SCHEMBL10175210 0.70 CHRNB2 (0.39) TSHRALDH1A1CHRNB2CHRNB4CHRNA4

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-20070128489-A1 Film electrode junction for fuel cell and fuel cell HITACHI, LTD. (JP) 2007-06-07 US disclosed