SCHEMBL30295474

SCHEMBL30295474

CCC[C@@H]1CC(=O)N([C@@H](CC)C(=O)O)C1.C[C@@H](N)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MAPK1 P28482 1/20 0.35
MDM2 Q00987 1/20 0.32
MME P08473 1/20 0.32
ALDH1A1 P00352 2/20 0.32
PKM P14618 1/20 0.32
MAPT P10636 1/20 0.32
DPP4 P27487 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL2329044 0.86 BRD4 (0.38) KMT2AMDM2MMEMAPTTSHR
SCHEMBL2322722 0.86 BRD4 (0.38) KMT2AMDM2MMEMAPTTSHR
SCHEMBL16223981 0.86 BRD4 (0.38) KMT2AMDM2MMEMAPTTSHR
SCHEMBL2322732 0.86 BRD4 (0.38) KMT2AMDM2MMEMAPTTSHR
SCHEMBL31030093 0.86 BRD4 (0.38) KMT2AMDM2MMEMAPTTSHR
SCHEMBL31030092 0.86 BRD4 (0.38) KMT2AMDM2MMEMAPTTSHR
SCHEMBL22426199 0.86 BRD4 (0.38) KMT2AMDM2MMEMAPTTSHR
SCHEMBL22129282 0.86 BRD4 (0.38) KMT2AMDM2MMEMAPTTSHR
SCHEMBL22231243 0.86 BRD4 (0.38) KMT2AMDM2MMEMAPTTSHR
SCHEMBL6869302 0.86 BRD4 (0.38) KMT2AMDM2MMEMAPTTSHR

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-115806519-A Method for splitting intermediate of brivaracetam and application of intermediate 浙江普洛家园药业有限公司 2023-03-17 CN disclosed