SCHEMBL26063008

SCHEMBL26063008

CC(C)C(=O)COCCOCCNC(=O)COCCNC(=O)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
GLP1R P43220 8/20 0.39
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
CA2 P00918 4/20 0.31
NCF1 P14598 1/20 0.31
TSHR P16473 1/20 0.31
RECQL P46063 1/20 0.31
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA4 P22748 2/20 0.30
CA9 Q16790 2/20 0.30
CA14 Q9ULX7 2/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL25546667 0.94 KMT2A (0.59) KMT2AMEN1GLP1RCYP2D6CYP2C9
SCHEMBL21105478 0.94 KMT2A (0.59) KMT2AMEN1GLP1RCYP2D6CYP2C9
SCHEMBL21105932 0.94 KMT2A (0.59) KMT2AMEN1GLP1RCYP2D6CYP2C9
SCHEMBL22837635 0.94 KMT2A (0.59) KMT2AMEN1GLP1RCYP2D6CYP2C9
SCHEMBL24812863 0.90 KMT2A (0.53) KMT2AMEN1CYP2D6CYP2C9CYP2C19
SCHEMBL25122775 0.88 KMT2A (0.53) KMT2AMEN1GLP1RCYP2D6CYP2C9
SCHEMBL25028591 0.88 KMT2A (0.53) KMT2AMEN1GLP1RCYP2D6CYP2C9
SCHEMBL22856474 0.88 KMT2A (0.53) KMT2AMEN1GLP1RCYP2D6CYP2C9
SCHEMBL24470294 0.88 MEN1 (0.45) KMT2AMEN1GLP1RSMN1; SMN2TSHR
SCHEMBL26429195 0.88 MEN1 (0.45) KMT2AMEN1GLP1RTSHRRECQL

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
WO-2023161875-A1 CYTOTOXICITY TARGETING CHIMERAS FOR PROSTATE SPECIFIC MEMBRANE ANTIGEN-EXPRESSING CELLS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-08-31 WO disclosed
WO-2023161874-A1 CYTOTOXICITY TARGETING CHIMERAS FOR C-C CHEMOKINE RECEPTOR 2-EXPRESSING CELLS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-08-31 WO disclosed