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SCHEMBL7599890

SCHEMBL7599890

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

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.52
▸ MDM4 O15151 2/20 0.45
▸ TP53 P04637 2/20 0.45
▸ KMT2A Q03164 2/20 0.44
▸ PIN1 Q13526 1/20 0.43
▸ EPHX2 P34913 1/20 0.42
▸ TLR2 O60603 2/20 0.42

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
SCHEMBL7599437 0.91 CASP3 (0.46) CASP3MDM4TP53KMT2APIN1
SCHEMBL3732236 0.90 CASP3 (0.53) CASP3MDM4TP53KMT2APIN1
SCHEMBL19180216 0.89 CASP3 (0.52) CASP3MDM4TP53KMT2APIN1
SCHEMBL29565761 0.89 CASP3 (0.52) CASP3MDM4TP53KMT2APIN1
SCHEMBL19180217 0.89 CASP3 (0.52) CASP3MDM4TP53KMT2APIN1
SCHEMBL3727489 0.87 TLR2 (0.49) CASP3MDM4TP53KMT2ATLR2
SCHEMBL3730100 0.87 CASP3 (0.56) CASP3MDM4TP53KMT2APIN1
SCHEMBL27443958 0.86 CASP3 (0.55) CASP3MDM4TP53KMT2APIN1
SCHEMBL178791 0.85 CASP3 (0.60) CASP3MDM4TP53KMT2APIN1
SCHEMBL799720 0.85 CASP3 (0.60) CASP3MDM4TP53KMT2APIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002503673-A — — 2002-02-05 — — JP claimed
EP-1054891-A1 PRODRUGS MEDIVIR AB (SE) 2000-11-29 — — EP claimed
WO-1999041275-A1 PRODRUGS MEDIVIR AB (SE) 1999-08-19 — — WO claimed