SCHEMBL8977043

SCHEMBL8977043

CC(C)C[C@H](NCCNC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
GAA P10253 1/20 0.54
CTSL P07711 2/20 0.52
CTSB P07858 1/20 0.52
CTSS P25774 1/20 0.52
CTSK P43235 1/20 0.52
CAPN1 P07384 1/20 0.49
TDP1 Q9NUW8 2/20 0.45
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
EPHX1 P07099 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 1/20 0.41
POLB P06746 1/20 0.40
ATM Q13315 1/20 0.40
LMNA P02545 1/20 0.40
MAOA P21397 1/20 0.40

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
SCHEMBL7460122 0.86 CTSL (0.48) MEN1KMT2AGAACTSLCTSB
SCHEMBL4342005 0.84 CAPN1 (0.47) MEN1KMT2AGAACTSLCTSB
SCHEMBL21312432 0.84 MEN1 (0.57) MEN1KMT2AGAACTSLCTSB
SCHEMBL8017285 0.84 CAPN1 (0.46) MEN1KMT2AGAACTSLCTSB
SCHEMBL5921648 0.83 MEN1 (0.55) MEN1KMT2AGAACTSSCTSK
SCHEMBL9980668 0.82 CAPN1 (0.54) MEN1KMT2AGAACTSLCTSB
SCHEMBL28888489 0.82 KMT2A (0.58) MEN1KMT2AGAACTSLCTSB
SCHEMBL9435405 0.82 KMT2A (0.58) MEN1KMT2AGAACTSLCTSB
SCHEMBL10726270 0.81 CTSL (0.56) MEN1KMT2ACTSLCTSBCTSS
SCHEMBL17559 0.80 CTSL (0.66) MEN1KMT2ACTSLCTSBCTSS

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-0706532-A1 NEW COMPOUND AND ITS PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-17 EP disclosed