SCHEMBL5717727

SCHEMBL5717727

O=C(N[C@@H](Cc1cn(COCc2ccccc2)cn1)C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 3/20 0.51
▸ TP53 P04637 3/20 0.51
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ MDM2 Q00987 7/20 0.45
▸ TNF P01375 1/20 0.43
▸ SLC17A5 Q9NRA2 1/20 0.42
▸ CASP3 P42574 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
SCHEMBL29682662 1.00 MDM4 (0.51) MDM4TP53HDAC1HDAC2MDM2
SCHEMBL29400706 0.89 MDM4 (0.54) MDM4TP53HDAC1HDAC2MDM2
SCHEMBL29589719 0.89 MDM4 (0.54) MDM4TP53HDAC1HDAC2MDM2
SCHEMBL5717688 0.89 MDM4 (0.54) MDM4TP53HDAC1HDAC2MDM2
SCHEMBL27582559 0.89 MDM4 (0.54) MDM4TP53HDAC1HDAC2MDM2
SCHEMBL30234099 0.89 MDM4 (0.54) MDM4TP53HDAC1HDAC2MDM2
SCHEMBL18468298 0.87 ITGB3 (0.48) —
SCHEMBL29401362 0.85 MDM4 (0.51) MDM4TP53HDAC1HDAC2MDM2
SCHEMBL3728174 0.82 MDM4 (0.56) MDM4TP53MDM2CASP3
SCHEMBL1486207 0.82 MDM4 (0.56) MDM4TP53MDM2SLC17A5CASP3

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
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 — — EP disclosed
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