SCHEMBL17992916

SCHEMBL17992916

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

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 3/20 0.58
▸ TP53 P04637 3/20 0.58
▸ KMT2A Q03164 2/20 0.53
▸ CASP3 P42574 2/20 0.53
▸ MDM2 Q00987 5/20 0.52
▸ TLR2 O60603 2/20 0.50
▸ SLC17A5 Q9NRA2 1/20 0.48

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
SCHEMBL8895610 0.92 MDM4 (0.62) MDM4TP53KMT2ACASP3MDM2
SCHEMBL30945050 0.90 MDM4 (0.60) MDM4TP53KMT2ACASP3MDM2
SCHEMBL8897778 0.90 MDM4 (0.60) MDM4TP53KMT2ACASP3MDM2
SCHEMBL29091196 0.90 MDM4 (0.60) MDM4TP53KMT2ACASP3MDM2
SCHEMBL27651285 0.88 MDM4 (0.54) MDM4TP53KMT2ACASP3MDM2
N- (9-Fluorenylmethoxycarbonyl)-L-Leucine SCHEMBL29211829 0.88 MDM4 (0.54) MDM4TP53KMT2ACASP3MDM2
N- (9-Fluorenylmethoxycarbonyl)-L-Leucine SCHEMBL800078 0.88 MDM4 (0.58) MDM4TP53KMT2ACASP3MDM2
SCHEMBL21978446 0.88 MDM4 (0.58) MDM4TP53KMT2ACASP3MDM2
SCHEMBL21978443 0.88 MDM4 (0.58) MDM4TP53KMT2ACASP3MDM2
N- (9-Fluorenylmethoxycarbonyl)-L-Leucine SCHEMBL120560 0.88 MDM4 (0.58) MDM4TP53KMT2ACASP3MDM2

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