SCHEMBL7258917

SCHEMBL7258917

CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)O.O=C(O)CNC1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.48
CTSK P43235 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.43
ALDH1A1 P00352 1/20 0.41
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
EPHX1 P07099 1/20 0.40
GAA P10253 1/20 0.38
PSENEN Q9NZ42 1/20 0.37
CA2 P00918 1/20 0.37
BTK Q06187 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
SCHEMBL29400759 0.88 CTSS (0.52) CTSSCTSKL3MBTL1KMT2APOLB
SCHEMBL3205842 0.81 CTSS (0.67) CTSSCTSKL3MBTL1KMT2APOLB
SCHEMBL629960 0.81 CTSS (0.67) CTSSCTSKL3MBTL1KMT2APOLB
SCHEMBL627379 0.81 CTSS (0.67) CTSSCTSKL3MBTL1KMT2APOLB
SCHEMBL2159319 0.81 CTSS (0.67) CTSSCTSKL3MBTL1KMT2APOLB
SCHEMBL905289 0.81 CTSS (0.67) CTSSCTSKL3MBTL1KMT2APOLB
SCHEMBL16710011 0.81 CTSS (0.67) CTSSCTSKL3MBTL1KMT2APOLB
SCHEMBL12189206 0.81 CTSS (0.67) CTSSCTSKL3MBTL1KMT2APOLB
SCHEMBL3825684 0.81 CTSS (0.67) CTSSCTSKL3MBTL1KMT2APOLB
SCHEMBL1951088 0.81 CTSS (0.67) CTSSCTSKL3MBTL1KMT2APOLB

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-2003101449-A2 PROCESS FOR THE PREPARATION OF 3,3,4,4-TETRAFLUOROPYRROLIDINE AND DERIVATIVES THEREOF PFIZER PRODUCTS INC. (US) 2003-12-11 WO disclosed