SCHEMBL17633370

SCHEMBL17633370

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

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 6/20 0.51
▸ MDM4 O15151 2/20 0.50
▸ TP53 P04637 2/20 0.50
▸ HDAC1 Q13547 1/20 0.49
▸ HDAC2 Q92769 1/20 0.49
▸ TLR2 O60603 2/20 0.48
▸ CASP3 P42574 2/20 0.48
▸ CASP1 P29466 1/20 0.45

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
SCHEMBL178701 0.91 KMT2A (0.57) MDM2MDM4TP53TLR2
SCHEMBL29350360 0.91 KMT2A (0.57) MDM2MDM4TP53TLR2
SCHEMBL29391986 0.91 KMT2A (0.57) MDM2MDM4TP53TLR2
SCHEMBL29401249 0.91 KMT2A (0.57) MDM2MDM4TP53TLR2
SCHEMBL178771 0.91 KMT2A (0.57) MDM2MDM4TP53TLR2
SCHEMBL25358347 0.91 KMT2A (0.57) MDM2MDM4TP53TLR2
SCHEMBL29400961 0.91 KMT2A (0.57) MDM2MDM4TP53TLR2
SCHEMBL29958970 0.91 KMT2A (0.57) MDM2MDM4TP53TLR2
SCHEMBL21462054 0.91 KMT2A (0.57) MDM2MDM4TP53TLR2
SCHEMBL4600836 0.91 KMT2A (0.57) MDM2MDM4TP53TLR2

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
EP-3197481-A1 STABILIZED ADRENOMEDULLIN DERIVATIVES AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2017-08-02 — — EP disclosed
WO-2016046301-A1 STABILIZED ADRENOMEDULLIN DERIVATIVES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-03-31 — — WO disclosed
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