SCHEMBL10418084

SCHEMBL10418084

COc1cc(OC)c(CNC(=O)C[C@H](NC(=O)OCc2cccc3c2Cc2ccccc2-3)C(=O)O)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 14/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ HDAC1 Q13547 3/20 0.40
▸ HDAC6 Q9UBN7 3/20 0.40
▸ PDCD1 Q15116 2/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL10417441 0.93 CD274 (0.42) CD274PTPN1HDAC1HDAC6PDCD1
SCHEMBL10417444 0.82 PTPN1 (0.56) CD274PTPN1HDAC8
SCHEMBL2544343 0.80 CASP1 (0.46) —
SCHEMBL9331302 0.80 CASP1 (0.46) —
SCHEMBL30122530 0.80 CASP1 (0.46) —
SCHEMBL1420538 0.80 CASP1 (0.46) —
SCHEMBL30904667 0.80 CASP1 (0.46) —
SCHEMBL30863677 0.79 MDM2 (0.49) PTPN1
SCHEMBL10418082 0.79 MDM2 (0.49) PTPN1
SCHEMBL23118169 0.79 ITGB3 (0.48) PTPN1HDAC8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4935536-A TRIALKOXYBENZYL PROTECTED AMINO ACID MILLIPORE CORPORATION (US) 1990-06-19 — — US disclosed
EP-0292228-A2 Protecting groups for asparagine and glutamine in peptide synthesis MILLIPORE CORPORATION (US) 1988-11-23 — — EP disclosed
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