SCHEMBL9700091

SCHEMBL9700091

CCCN(CCC)CCOC(C)O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
NPBWR1 P48145 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MCHR1 Q99705 1/20 0.35
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
FDPS P14324 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
SCHEMBL2031202 0.91
SCHEMBL749808 0.84 MEN1 (0.39) ALDH1A1SMN1; SMN2
SCHEMBL5251994 0.82 MAPT (0.31)
SCHEMBL24701914 0.81 ALDH1A1 (0.33) ALDH1A1NPBWR1SMN1; SMN2MCHR1
SCHEMBL10609171 0.80 PIK3CD (0.34) HSD17B10TDP1FDPS
SCHEMBL11460041 0.78 MEN1 (0.35) ALDH1A1HSD17B10
SCHEMBL9732318 0.78 MEN1 (0.35) ALDH1A1HSD17B10
SCHEMBL9705242 0.77 ALDH1A1 (0.32) ALDH1A1NPBWR1SMN1; SMN2MCHR1
SCHEMBL9705678 0.76 ALDH1A1 (0.31) ALDH1A1NPBWR1SMN1; SMN2MCHR1
SCHEMBL5892376 0.76 PIK3CD (0.30)

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-5108880-A Developing agent, sulfite preservative and amino alcohol SUN CHEMICAL CORPORATION (US) 1992-04-28 US disclosed