SCHEMBL23988713

SCHEMBL23988713

CC(NC(=O)OC(C)(C)C)C(=O)NC(C)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ JAK2 O60674 3/20 0.46
▸ HDAC8 Q9BY41 1/20 0.43
▸ CYP17A1 P05093 1/20 0.43
▸ GLS O94925 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ XBP1 P17861 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ GPR55 Q9Y2T6 1/20 0.43
▸ NAMPT P43490 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ PTPN11 Q06124 1/20 0.40
▸ CTSS P25774 1/20 0.40
▸ CTSK P43235 1/20 0.40
▸ SUV39H2 Q9H5I1 1/20 0.39

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
SCHEMBL23988718 1.00 KMT2A (0.50) KMT2AMEN1JAK2HDAC8CYP17A1
SCHEMBL23964045 0.97 KMT2A (0.52) KMT2AMEN1JAK2HDAC8CYP17A1
SCHEMBL18975494 0.97 KMT2A (0.52) KMT2AMEN1JAK2HDAC8CYP17A1
SCHEMBL25993767 0.90 MEN1 (0.56) KMT2AMEN1CTSSCTSKPTPRB
SCHEMBL19391314 0.90 MEN1 (0.56) KMT2AMEN1CTSSCTSKPTPRB
SCHEMBL22815478 0.90 MEN1 (0.56) KMT2AMEN1CTSSCTSKPTPRB
SCHEMBL19277932 0.90 MEN1 (0.56) KMT2AMEN1CTSSCTSKPTPRB
SCHEMBL19391315 0.90 MEN1 (0.56) KMT2AMEN1CTSSCTSKPTPRB
SCHEMBL27103092 0.87 KMT2A (0.62) KMT2AMEN1JAK2HDAC8CYP17A1
SCHEMBL25932908 0.86 KMT2A (0.51) KMT2AMEN1JAK2HDAC8CYP17A1

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-2021216572-A1 LIPID COMPOSITIONS FOR DELIVERY OF STING AGONIST COMPOUNDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-10-28 — — WO disclosed
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