SCHEMBL7120400

SCHEMBL7120400

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

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.44
▸ FABP5 Q01469 3/20 0.43
▸ FABP7 O15540 2/20 0.43
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ EPHX2 P34913 1/20 0.39
▸ MDM4 O15151 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ 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
SCHEMBL1000230 1.00 KMT2A (0.44) KMT2AFABP5FABP7CA1CA2
SCHEMBL30023067 0.84 KMT2A (0.44) KMT2AFABP5FABP7CA1CA2
SCHEMBL30022935 0.84 KMT2A (0.44) KMT2AFABP5FABP7CA1CA2
SCHEMBL30023266 0.84 KMT2A (0.44) KMT2AFABP5FABP7CA1CA2
SCHEMBL1000148 0.84 KMT2A (0.48) KMT2AFABP5FABP7CA1CA2
SCHEMBL29468874 0.84 KMT2A (0.48) KMT2AFABP5FABP7CA1CA2
SCHEMBL1000147 0.84 KMT2A (0.48) KMT2AFABP5FABP7CA1CA2
SCHEMBL7127095 0.84 KMT2A (0.43) KMT2AFABP5FABP7CA1CA2
SCHEMBL28936568 0.83 KMT2A (0.41) KMT2AFABP5FABP7CA1CA2
SCHEMBL27605680 0.83 KMT2A (0.43) KMT2AFABP5FABP7CA1CA2

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-6660832-B1 Cyclic peptide compounds with fused benzene rings; solid phase synthesis thereof; use as antibiotic to treat bacterial infection in mammals; may work by binding to RNA targets ISIS PHARMACEUTICALS, INC. 2003-12-09 — — US disclosed
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