SCHEMBL22856479

SCHEMBL22856479

CCC(C)C(=O)NCCOCCOCCOCCNC(=O)COC(C)C

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
GLP1R P43220 8/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 2/20 0.35
TSHR P16473 2/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 3/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL23695885 1.00 KMT2A (0.50) KMT2AMEN1GLP1RLMNAGAA
SCHEMBL24508251 0.89 EPHX2 (0.43) KMT2AMEN1GLP1RLMNATSHR
SCHEMBL25697264 0.89 EPHX2 (0.43) KMT2AMEN1GLP1RLMNATSHR
SCHEMBL25082428 0.88 MEN1 (0.56) KMT2AMEN1LMNAGAATSHR
SCHEMBL22861706 0.86 KMT2A (0.54) KMT2AMEN1GLP1RLMNAGAA
SCHEMBL21106794 0.86 KMT2A (0.54) KMT2AMEN1GLP1RLMNAGAA
SCHEMBL23568385 0.86 FAAH (0.38) KMT2AMEN1LMNAGAATSHR
SCHEMBL23695887 0.86 KMT2A (0.54) KMT2AMEN1GLP1RLMNAGAA
SCHEMBL17853874 0.86 KMT2A (0.66) KMT2AMEN1GAATSHRUSP2
SCHEMBL25885537 0.85 MEN1 (0.50) KMT2AMEN1GLP1RGAATSHR

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