SCHEMBL9345543

SCHEMBL9345543

CC(C)(C)OC(=O)NCCCC[C@](N)(C(=O)F)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
TPSAB1 Q15661 1/20 0.41
TPSD1 Q9BZJ3 1/20 0.41
TPSG1 Q9NRR2 1/20 0.41
TLR2 O60603 1/20 0.39
TLR1 Q15399 1/20 0.39
MALT1 Q9UDY8 1/20 0.39
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP3A4 P08684 1/20 0.37
EPHX2 P34913 1/20 0.37
MDM2 Q00987 1/20 0.37

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
SCHEMBL30543501 0.91 KMT2A (0.53) KMT2ATPSAB1TPSD1TPSG1TLR2
SCHEMBL30586088 0.91 KMT2A (0.53) KMT2ATPSAB1TPSD1TPSG1TLR2
SCHEMBL17079689 0.90 KMT2A (0.55) KMT2ATPSAB1TPSD1TPSG1TLR2
SCHEMBL27605658 0.88 KMT2A (0.52) KMT2ATPSAB1TPSD1TPSG1TLR2
SCHEMBL732427 0.84 KMT2A (0.68) KMT2ATPSAB1TPSD1TPSG1TLR2
SCHEMBL28682364 0.84 KMT2A (0.48) KMT2ATLR2TLR1MALT1EPHX2
SCHEMBL28052238 0.84 KMT2A (0.48) KMT2ATLR2TLR1MALT1EPHX2
SCHEMBL28770709 0.83 KMT2A (0.59) KMT2ATLR2TLR1EPHX2MDM2
SCHEMBL6286738 0.83 KMT2A (0.43) KMT2ATPSAB1TPSD1TPSG1TLR2
SCHEMBL6287974 0.83 KMT2A (0.43) KMT2ATPSAB1TPSD1TPSG1TLR2

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
US-5360928-A Synthesis and use of amino acid fluorides as peptide coupling reagents RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1994-11-01 US disclosed