SCHEMBL28052238

SCHEMBL28052238

CC(C)(C)OC(=O)NCCC(N)(C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MALT1 Q9UDY8 1/20 0.41
IDO1 P14902 1/20 0.41
MDM2 Q00987 1/20 0.40
EPHX2 P34913 1/20 0.39
TLR2 O60603 1/20 0.39
TLR1 Q15399 1/20 0.39
MDM4 O15151 1/20 0.39
TP53 P04637 1/20 0.39
FABP7 O15540 1/20 0.38
FABP5 Q01469 1/20 0.38
CASP3 P42574 1/20 0.38

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
SCHEMBL28682364 1.00 KMT2A (0.48) KMT2AMALT1IDO1MDM2EPHX2
SCHEMBL27605658 0.94 KMT2A (0.52) KMT2AMALT1IDO1MDM2EPHX2
SCHEMBL30586088 0.93 KMT2A (0.53) KMT2AMALT1IDO1MDM2TLR2
SCHEMBL30543501 0.93 KMT2A (0.53) KMT2AMALT1IDO1MDM2TLR2
SCHEMBL17079689 0.92 KMT2A (0.55) KMT2AMDM2TLR2TLR1
SCHEMBL16915244 0.86 KMT2A (0.50) KMT2AMDM2EPHX2TLR2TLR1
SCHEMBL28770709 0.85 KMT2A (0.59) KMT2AMDM2EPHX2TLR2TLR1
SCHEMBL9345543 0.84 KMT2A (0.50) KMT2AMALT1MDM2EPHX2TLR2
SCHEMBL5973232 0.84 KMT2A (0.41) KMT2AMDM2EPHX2MDM4TP53
SCHEMBL29173690 0.84 KMT2A (0.41) KMT2AMDM2EPHX2MDM4TP53

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
CN-105348147-A Synthetic method of Fmoc-Dab(Boc)-OH SHANGHAI GL POLYPEPTIDE CO LTD 2016-02-24 CN disclosed