SCHEMBL5589932

SCHEMBL5589932

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

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
TSHR P16473 2/20 0.33
TP53 P04637 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL349574 0.83 TSHR (0.33) ALDH1A1TSHRCHRNB2CHRNA4CHRM2
Acetone SCHEMBL11782633 0.82
Isopropyl Alcohol SCHEMBL22551253 0.82 ALDH1A1 (0.43) ALDH1A1TSHRTP53CHRNB2CHRNA4
SCHEMBL28324219 0.80 ALDH1A1 (0.35) ALDH1A1TSHR
Acetic Acid SCHEMBL297447 0.79
SCHEMBL29575508 0.78
SCHEMBL1332099 0.74
SCHEMBL13130521 0.74
SCHEMBL1925147 0.74 ALDH1A1 (0.50) ALDH1A1TSHRCHRM2CHRM4CHRM5
SCHEMBL1190178 0.74

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