SCHEMBL25878476

SCHEMBL25878476

CC[C@H]1CC[C@@H](C(=O)OC)N1C(=O)[C@H](C)NC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
CTSL P07711 2/20 0.40
HRH2 P25021 4/20 0.38
HRH1 P35367 4/20 0.38
KLK5 Q9Y337 1/20 0.37
HDAC8 Q9BY41 2/20 0.36
CTSK P43235 3/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CTSB P07858 1/20 0.35
ELANE P08246 1/20 0.35
MEN1 O00255 1/20 0.34
CA12 O43570 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CTSS P25774 1/20 0.34

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
SCHEMBL5368239 0.80 CHRM2 (0.42) KMT2AMEN1
SCHEMBL13455032 0.79 ALDH1A1 (0.49) KMT2AKLK5HDAC8MEN1
SCHEMBL646335 0.79 CTSL (0.44) KMT2ACTSLHRH2HRH1HDAC8
SCHEMBL12898931 0.78 CTSK (0.38) KMT2ACTSLKLK5CTSKCTSS
SCHEMBL647656 0.77 CTSS (0.46) KMT2ACTSLHRH2HRH1HDAC8
SCHEMBL12898929 0.77 CTSK (0.37) KMT2ACTSLKLK5CTSKCTSS
SCHEMBL12898928 0.77 CTSK (0.37) KMT2ACTSLKLK5HDAC8CTSK
SCHEMBL14216709 0.76 CTSK (0.44) KMT2ACTSLHDAC8CTSKCA2
SCHEMBL646244 0.76 MAPK1 (0.44) KMT2ACTSLHRH2HRH1HDAC8
SCHEMBL27630344 0.76 MAPK1 (0.44) KMT2ACTSLHRH2HRH1HDAC8

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
WO-2023133336-A1 STAT MODULATORS AND USES THEREOF RECLUDIX PHARMA, INC. (US) 2023-07-13 WO disclosed