SCHEMBL28671376

SCHEMBL28671376

Cc1ccc2c(c1)c(CC(NC(=O)OCC1c3ccccc3-c3ccccc31)C(=O)O)cn2C(=O)OC(C)(C)C

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ MDM2 Q00987 6/20 0.46
▸ MDM4 O15151 3/20 0.46
▸ TP53 P04637 3/20 0.46
▸ ADAM17 P78536 1/20 0.43
▸ SLC17A5 Q9NRA2 1/20 0.42
▸ BACE1 P56817 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL28676755 0.94 MDM2 (0.46) MEN1RECQLKMT2AMDM2MDM4
SCHEMBL25360974 0.92 SLC17A5 (0.49) MEN1RECQLKMT2AMDM2MDM4
SCHEMBL31370007 0.92 MDM2 (0.49) MDM2MDM4TP53ADAM17SLC17A5
SCHEMBL25360978 0.92 SLC17A5 (0.49) MEN1RECQLKMT2AMDM2MDM4
SCHEMBL31210290 0.92 SLC17A5 (0.49) MEN1RECQLKMT2AMDM2MDM4
SCHEMBL28669758 0.91 MDM4 (0.46) MEN1RECQLKMT2AMDM2MDM4
SCHEMBL31369786 0.91 MDM2 (0.50) MEN1RECQLKMT2AMDM2MDM4
SCHEMBL1000833 0.91 ADAM17 (0.51) MDM2MDM4TP53ADAM17SLC17A5
SCHEMBL30917941 0.91 ADAM17 (0.51) MDM2MDM4TP53ADAM17SLC17A5
SCHEMBL5969202 0.91 ADAM17 (0.51) MDM2MDM4TP53ADAM17SLC17A5

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-113861097-A Synthesis method of multi-configuration 1-Boc-N-Fmoc tryptophan compound 苏州爱玛特生物科技有限公司 2021-12-31 — — CN disclosed
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