SCHEMBL10418082

SCHEMBL10418082

COc1cc(OC)c(CNC(=O)C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 3/20 0.49
▸ MDM4 O15151 3/20 0.48
▸ TP53 P04637 3/20 0.48
▸ CASP3 P42574 2/20 0.46
▸ PTPN1 P18031 1/20 0.45
▸ TLR2 O60603 2/20 0.44
▸ TNF P01375 1/20 0.43

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
SCHEMBL30863677 1.00 MDM2 (0.49) MDM2MDM4TP53CASP3PTPN1
SCHEMBL10417439 0.91 TLR2 (0.55) MDM2MDM4TP53CASP3PTPN1
SCHEMBL30863678 0.91 TLR2 (0.55) MDM2MDM4TP53CASP3PTPN1
SCHEMBL26195496 0.85 MDM2 (0.50) MDM2MDM4TP53CASP3TLR2
SCHEMBL31111403 0.83 TAS1R3 (0.48) MDM2TP53
SCHEMBL10417444 0.83 PTPN1 (0.56) PTPN1
SCHEMBL29561499 0.80 MDM2 (0.56) MDM2MDM4TP53CASP3TLR2
SCHEMBL119621 0.80 MDM2 (0.56) MDM2MDM4TP53CASP3TLR2
SCHEMBL24709082 0.80 MDM2 (0.53) MDM2MDM4TP53CASP3TLR2
SCHEMBL26195497 0.80 MDM2 (0.53) MDM2MDM4TP53CASP3TLR2

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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