SCHEMBL31344552

SCHEMBL31344552

CC(C)(C)N(CCCCCN)C(=O)O.CC(C)(C)OC(=O)NCCCCCNC(=O)C=Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.50
KMT2A Q03164 2/20 0.47
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL29830593 0.84 KMT2A (0.67) EGFRKMT2AHDAC3HDAC4HDAC1
SCHEMBL23196471 0.84 KMT2A (0.67) EGFRKMT2AHDAC3HDAC4HDAC1
SCHEMBL31344548 0.80 EGFR (0.55) EGFRKMT2AHDAC3HDAC4HDAC1
SCHEMBL28448155 0.78 KMT2A (0.77) EGFRKMT2AHDAC3HDAC4HDAC1
SCHEMBL25264834 0.78 KMT2A (0.77) EGFRKMT2AHDAC3HDAC4HDAC1
SCHEMBL28448156 0.78 KMT2A (0.77) EGFRKMT2AHDAC3HDAC4HDAC1
SCHEMBL25189008 0.78 KMT2A (0.77) EGFRKMT2AHDAC3HDAC4HDAC1
SCHEMBL31137770 0.77 MEN1 (0.49) KMT2AMEN1ALDH1A1
SCHEMBL23196472 0.77 KMT2A (0.79) EGFRKMT2AHDAC3HDAC4HDAC1
SCHEMBL3196106 0.77 KMT2A (0.79) EGFRKMT2AHDAC3HDAC4HDAC1

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-4716682-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Givaudan SA (CH) 2026-04-01 EP disclosed
WO-2024240579-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2024-11-28 WO disclosed