SCHEMBL24733495

SCHEMBL24733495

CC(CC(=O)OC(C)(C)C)N(C)C(=O)[C@H](C1CCCC1)N(C)C(=O)C1(NC(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
CTRB1 P17538 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
PRCP P42785 1/20 0.41
GFER P55789 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
RAB9A P51151 1/20 0.40
TP53 P04637 1/20 0.40
MEN1 O00255 1/20 0.40
PREP P48147 1/20 0.40
CTSK P43235 2/20 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
SCHEMBL24733470 0.92 KMT2A (0.43) KMT2ACTRB1NPSR1TSHRL3MBTL1
SCHEMBL24733599 0.85 KMT2A (0.50) KMT2ACTRB1NPSR1TSHRL3MBTL1
SCHEMBL24822549 0.82 CTRB1 (0.42) KMT2ACTRB1NPSR1TSHRL3MBTL1
SCHEMBL24733718 0.78 CTSS (0.40) KMT2AL3MBTL1ALDH1A1CTSKCTSB
SCHEMBL24733477 0.76 CMA1 (0.37) ALDH1A1CYP3A4
SCHEMBL25801634 0.76
SCHEMBL10829412 0.75 KMT2A (0.60) KMT2ACTRB1NPSR1TSHRL3MBTL1
SCHEMBL10829420 0.73 NPSR1 (0.61) KMT2ACTRB1NPSR1TSHRL3MBTL1
SCHEMBL992994 0.72 CTRB1 (0.64) KMT2ACTRB1NPSR1TSHRL3MBTL1
SCHEMBL8287761 0.72 CTRB1 (0.64) KMT2ACTRB1NPSR1TSHRL3MBTL1

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
EP-4086272-A1 METHODS FOR PRODUCING CYCLIC COMPOUNDS COMPRISING N-SUBSTITUTED AMINO ACID RESIDUES Chugai Seiyaku Kabushiki Kaisha (JP) 2022-11-09 EP disclosed