SCHEMBL21842292

SCHEMBL21842292

CC(=O)NCCOCCOCCOC1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ACACB O00763 2/20 0.39
ACACA Q13085 1/20 0.39
EPHX1 P07099 1/20 0.38
EPHX2 P34913 3/20 0.36
MTNR1A P48039 4/20 0.36
MTNR1B P49286 3/20 0.36
MAPK1 P28482 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HIF1A Q16665 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPC1 O15118 1/20 0.33
ADRB2 P07550 1/20 0.33

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
SCHEMBL22132035 0.88 EPHX1 (0.44) MEN1KMT2AACACBACACAEPHX1
SCHEMBL22131907 0.86 MAPK1 (0.40) ACACBACACAEPHX1MTNR1AMTNR1B
SCHEMBL27369636 0.84 MEN1 (0.36) MEN1KMT2AEPHX2MTNR1AMTNR1B
SCHEMBL13455632 0.82 EPHX2 (0.33) MEN1KMT2AACACBACACAEPHX2
SCHEMBL19309079 0.80 MEN1 (0.56) MEN1KMT2AMTNR1AMTNR1BMAPK1
SCHEMBL5155263 0.80 MEN1 (0.56) MEN1KMT2AMTNR1AMTNR1BMAPK1
SCHEMBL21842362 0.79 KDM4E (0.52) ACACBACACAEPHX1EPHX2MAPK1
SCHEMBL5157716 0.78 MAPK1 (0.55) MEN1KMT2AMTNR1AMTNR1BMAPK1
SCHEMBL21842363 0.77 MEN1 (0.42) MEN1KMT2AEPHX1EPHX2KDM4E
SCHEMBL14407371 0.75 EPHX1 (0.40) MEN1KMT2AEPHX1EPHX2MTNR1A

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
WO-2020069125-A1 DEGRADERS OF HEPATITIS C VIRUS NS3/4A PROTEIN DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-04-02 WO disclosed