SCHEMBL9544252

SCHEMBL9544252

CCCC[C@](NC)(C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.37
CTSS P25774 3/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
DGAT1 O75907 1/20 0.36
THRB P10828 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
GAA P10253 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31
TDP1 Q9NUW8 2/20 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
SCHEMBL9179185 1.00 CTSK (0.37) CTSKCTSSKMT2AMEN1L3MBTL1
Ammonia Solution, Strong SCHEMBL28163211 0.83 DGAT1 (0.33) DGAT1
SCHEMBL28534490 0.82 DGAT1 (0.45) CTSKCTSSKMT2AMEN1DGAT1
SCHEMBL8611222 0.78 MEN1 (0.39) CTSKCTSSKMT2AMEN1DGAT1
SCHEMBL28323881 0.77 DGAT1 (0.39) CTSKCTSSKMT2AMEN1DGAT1
SCHEMBL18248046 0.75 DGAT1 (0.37) DGAT1
SCHEMBL18248114 0.75 DGAT1 (0.37) CTSKCTSSKMT2AMEN1DGAT1
SCHEMBL28905913 0.74 CTSK (0.36) CTSKCTSSKMT2AMEN1L3MBTL1
SCHEMBL17498185 0.73 MEN1 (0.41) CTSKCTSSKMT2AMEN1DGAT1
SCHEMBL8021189 0.73 MEN1 (0.46) KMT2AMEN1L3MBTL1MAPTATM

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-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 WO disclosed