SCHEMBL17246795

SCHEMBL17246795

CC(C)(C)OC(=O)NCCCCC(N)C(=O)NCCCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 6/20 0.53
▸ KMT2A Q03164 1/20 0.48
▸ TLR2 O60603 5/20 0.48
▸ TLR1 Q15399 1/20 0.48
▸ MDM4 O15151 1/20 0.45
▸ TP53 P04637 1/20 0.45

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
SCHEMBL2524769 0.93 MDM2 (0.59) MDM2KMT2ATLR2TLR1MDM4
SCHEMBL30783486 0.93 MDM2 (0.59) MDM2KMT2ATLR2TLR1MDM4
SCHEMBL29370147 0.93 MDM2 (0.59) MDM2KMT2ATLR2TLR1MDM4
SCHEMBL30886226 0.93 MDM2 (0.59) MDM2KMT2ATLR2TLR1MDM4
SCHEMBL29372236 0.93 MDM2 (0.59) MDM2KMT2ATLR2TLR1MDM4
SCHEMBL2292778 0.93 MDM2 (0.59) MDM2KMT2ATLR2TLR1MDM4
SCHEMBL1738182 0.93 MDM2 (0.59) MDM2KMT2ATLR2TLR1MDM4
SCHEMBL30895590 0.92 MDM2 (0.55) MDM2KMT2ATLR2TLR1
SCHEMBL9933933 0.92 MDM2 (0.55) MDM2KMT2ATLR2TLR1
SCHEMBL25357595 0.92 MDM2 (0.58) MDM2KMT2ATLR2TLR1MDM4

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-2015171792-A1 METAL/RADIOMETAL-LABELED PSMA INHIBITORS FOR PSMA-TARGETED IMAGING AND RADIOTHERAPY THE JOHNS HOPKINS UNIVERSITY (US) 2015-11-12 — — WO disclosed
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