SCHEMBL8645014

SCHEMBL8645014

CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)O.COC(=O)[C@@H]1CCCN1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.46
CTSK P43235 2/20 0.46
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.39
CTSL P07711 1/20 0.39
PSENEN Q9NZ42 1/20 0.38
CA2 P00918 2/20 0.38
ITGAV P06756 1/20 0.37
ITGB6 P18564 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 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
SCHEMBL27735770 0.86 KMT2A (0.55) CTSSKMT2A
Proline SCHEMBL8645011 0.85 PSENEN (0.47) CTSSCTSKKMT2APOLBCTSL
SCHEMBL8648699 0.85 KMT2A (0.51) CTSSCTSKKMT2ACTSLCA2
Glycine SCHEMBL27714931 0.83 KMT2A (0.51) KMT2A
SCHEMBL5011681 0.81 CTSS (0.50) CTSSCTSKKMT2AALDH1A1CTSL
SCHEMBL27485069 0.81 CTSS (0.50) CTSSCTSKKMT2AALDH1A1CTSL
SCHEMBL16710011 0.79 CTSS (0.67) CTSSCTSKKMT2APOLBL3MBTL1
SCHEMBL2159319 0.79 CTSS (0.67) CTSSCTSKKMT2APOLBL3MBTL1
SCHEMBL629960 0.79 CTSS (0.67) CTSSCTSKKMT2APOLBL3MBTL1
SCHEMBL3825684 0.79 CTSS (0.67) CTSSCTSKKMT2APOLBL3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0610743-B1 Aminomethylene-peptides as immunosuppressants BAYER AG (US) 1998-09-09 EP disclosed
US-5385918-A Aminomethylene-peptides as immunosuppressants MILES INC. (US) 1995-01-31 US disclosed
EP-0610743-A1 Novel aminomethylene-peptides as immunosuppressants Bayer Corporation (US) 1994-08-17 EP disclosed