SCHEMBL17991594

SCHEMBL17991594

COc1ccc(C(c2ccccc2)(c2ccccc2)n2cnc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 5/20 0.54
▸ MDM4 O15151 3/20 0.53
▸ TP53 P04637 3/20 0.53
▸ SIRT2 Q8IXJ6 12/20 0.47

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
SCHEMBL29401153 1.00 MDM2 (0.54) MDM2MDM4TP53SIRT2
SCHEMBL1737899 0.93 MDM4 (0.54) MDM2MDM4TP53SIRT2
SCHEMBL13227674 0.93 MDM4 (0.54) MDM2MDM4TP53SIRT2
SCHEMBL12994493 0.93 MDM4 (0.54) MDM2MDM4TP53SIRT2
SCHEMBL29368020 0.93 MDM4 (0.54) MDM2MDM4TP53SIRT2
SCHEMBL30433831 0.93 MDM4 (0.54) MDM2MDM4TP53SIRT2
SCHEMBL28625949 0.92 MDM2 (0.52) MDM2MDM4TP53SIRT2
SCHEMBL28625947 0.92 MDM2 (0.52) MDM2MDM4TP53SIRT2
SCHEMBL30434660 0.92 MDM2 (0.52) MDM2MDM4TP53SIRT2
SCHEMBL30468161 0.90 SIRT2 (0.55) MDM2MDM4TP53SIRT2

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-9409952-B2 Peptide-compound cyclization method CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-08-09 — — US disclosed
US-9409952-B2 Peptide-compound cyclization method CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-08-09 — — US disclosed
Send feedback