SCHEMBL21933100

SCHEMBL21933100

CCCCNC(=O)CCN1C(=O)CC(C(C)(C)C)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.39
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
CYP2C19 P33261 2/20 0.39
HSD17B10 Q99714 2/20 0.38
CASP2 P42575 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
FAAH O00519 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL20034721 0.94 SMN1; SMN2 (0.40) TP53MEN1KMT2ACYP2C19HSD17B10
SCHEMBL10017830 0.92 KMT2A (0.36) TP53MEN1KMT2AHSD17B10HDAC3
SCHEMBL20034715 0.90 CASP2 (0.42) TP53MEN1KMT2ACASP2HDAC3
SCHEMBL17944164 0.89 HDAC3 (0.37) TP53MEN1KMT2ACYP2C19HSD17B10
SCHEMBL19698272 0.88 HDAC3 (0.39) TP53MEN1KMT2ACYP2C19HSD17B10
SCHEMBL26973040 0.87 SMN1; SMN2 (0.42) MEN1KMT2AHSD17B10SMN1; SMN2HPGD
SCHEMBL17944136 0.86 SIGMAR1 (0.38) MEN1KMT2ACYP2C19HSD17B10HDAC3
SCHEMBL19703814 0.86 HDAC3 (0.44) TP53MEN1KMT2ACYP2C19HSD17B10
SCHEMBL20801345 0.86 HDAC3 (0.42) TP53MEN1KMT2ACYP2C19HSD17B10
SCHEMBL18120584 0.86 SMN1; SMN2 (0.38) TP53MEN1KMT2ACYP2C19HSD17B10

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-3250232-B1 BRANCHED AND LINEAR CHIMERIC COMPOUNDS, POLYNUCLEOTIDES, USES AND METHODS FOR PREPARATION THEREOF DYNAVAX TECH CORP (US) 2020-04-29 EP disclosed