SCHEMBL22856469

SCHEMBL22856469

CCC(=O)NCCCCCCCCCCCNC(=O)COC

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.68
KMT2A Q03164 1/20 0.68
FAAH O00519 1/20 0.53
EPHX1 P07099 3/20 0.47
CASP2 P42575 1/20 0.47
TSHR P16473 1/20 0.46
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RECQL P46063 1/20 0.45
NAAA Q02083 1/20 0.44

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
SCHEMBL7786356 0.92 FAAH (0.55) MEN1KMT2AFAAHEPHX1CASP2
SCHEMBL8537389 0.92 FAAH (0.55) MEN1KMT2AFAAHEPHX1CASP2
SCHEMBL22525938 0.91 MEN1 (0.57) MEN1KMT2AFAAHEPHX1CASP2
SCHEMBL24607163 0.90 MEN1 (0.56) MEN1KMT2AFAAHTSHRALDH1A1
SCHEMBL24098140 0.88 FAAH (0.68) MEN1KMT2AFAAHEPHX1CASP2
SCHEMBL15888717 0.88 FAAH (0.68) MEN1KMT2AFAAHEPHX1CASP2
SCHEMBL2719632 0.88 FAAH (0.68) MEN1KMT2AFAAHEPHX1CASP2
SCHEMBL2749360 0.86 FAAH (0.65) MEN1KMT2AFAAHEPHX1CASP2
SCHEMBL8326097 0.85 TSHR (0.54) MEN1KMT2AFAAHEPHX1CASP2
SCHEMBL21765846 0.85 MEN1 (0.94) MEN1KMT2AFAAHEPHX1CASP2

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-2020264490-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-30 WO disclosed