SCHEMBL28566909

SCHEMBL28566909

COC(=O)C1CC(=O)N([C@@H](C)C(=O)O)C1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.57
MAPT P10636 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 1/20 0.44
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA4 P22748 3/20 0.42
CA6 P23280 3/20 0.42
CA7 P43166 3/20 0.42
CA9 Q16790 3/20 0.42
CA13 Q8N1Q1 3/20 0.42
CA12 O43570 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA5B Q9Y2D0 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
POLB P06746 4/20 0.41
LMNA P02545 1/20 0.40
TSHR P16473 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
SCHEMBL28566910 1.00 BRD4 (0.57) BRD4MAPTSMN1; SMN2KMT2ACA1
SCHEMBL11622652 0.87 MAPT (0.66) BRD4MAPTSMN1; SMN2KMT2ACA1
SCHEMBL12667143 0.87 MAPT (0.66) BRD4MAPTSMN1; SMN2KMT2ACA1
SCHEMBL5011683 0.86 BRD4 (0.55) BRD4MAPTSMN1; SMN2KMT2ACA1
SCHEMBL563682 0.86 BRD4 (0.55) BRD4MAPTSMN1; SMN2KMT2ACA1
SCHEMBL20676016 0.83 MAPT (0.77) MAPTSMN1; SMN2KMT2AGAAPOLB
SCHEMBL12206410 0.82 BRD4 (0.51) BRD4MAPTSMN1; SMN2KMT2ACA1
SCHEMBL28561759 0.81 BRD4 (0.50) BRD4MAPTSMN1; SMN2KMT2ACA1
SCHEMBL28561762 0.81 BRD4 (0.50) BRD4MAPTSMN1; SMN2KMT2ACA1
SCHEMBL11997282 0.80 TSHR (0.60) BRD4MAPTSMN1; SMN2KMT2ACA1

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
CN-107903302-B Preparation method of gamma-lactam bridged dipeptide compound 韶远科技(上海)有限公司 2021-05-14 CN disclosed