SCHEMBL9065709

SCHEMBL9065709

CCCOCCC(N)CN

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.34
CYP3A4 P08684 1/20 0.31
DNM1 Q05193 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL28864978 0.83 HTT (0.52) HTTCYP3A4DNM1ALDH1A1TDP1
SCHEMBL27600275 0.79 HSD17B10 (0.33) HSD17B10
SCHEMBL15329553 0.79 HSD17B10 (0.43) HTTHSD17B10CYP3A4TDP1
SCHEMBL27262121 0.78 HSD17B10 (0.41) HTTHSD17B10CYP3A4DNM1ALDH1A1
SCHEMBL1342489 0.77
SCHEMBL1274296 0.76 HTT (0.53) HTTHSD17B10CYP3A4DNM1TDP1
SCHEMBL10554106 0.75
SCHEMBL712012 0.75 HSD17B10 (0.37) HTTHSD17B10TDP1
SCHEMBL1274341 0.75 HSD17B10 (0.37) HTTHSD17B10TDP1
SCHEMBL17262666 0.75 HSD17B10 (0.37) HTTHSD17B10TDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0449519-B1 Process for producing an impact copolymer SHELL OIL CO (US) 1996-05-08 EP disclosed
EP-0449519-A2 Process for producing an impact copolymer SHELL OIL COMPANY (US) 1991-10-02 EP disclosed